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1

Digitale Medien

Design criteria for a laboratory EXAFS facility (1981)

Georgopoulos, P. ; Knapp, G. S.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 3-7

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: There has recently been an increased amount of interest in laboratory equipment for extended X-ray absorption fine-structure (EXAFS) measurements. In an earlier paper a facility for performing such measurements easily in a few hours was described in some detail. In this paper, further development of the techniques is reported. The use of high-power rotating-anode X-ray generator, the design of an X-ray curved-crystal spectrometer, the factors governing the proper choice of monochromator crystals and the design of fast-counting detectors and electronics are discussed. In addition, it is shown how errors caused by characteristic lines in the spectrum can be eliminated by use of a flux stabilization circuit.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008571

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2

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Neutron photographic measurements of protein single-crystal reflections (1981)

Hohlwein, D. ; Mason, S. A.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 24-27

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Photographic neutron intensity measurements on a 2 mm3 single-crystal of triclinic lysozyme are compared with conventional neutron diffractometer data. The reflections were recorded with the oscillation technique. The structure factors were derived from the optical densities scanned by an automatic microdensitometer and processed by computer programs. A statistical analysis shows that the photographic data are of about the same accuracy as recently collected diffractometer data. For the same flux and crystal volume the data collection time is reduced by up to two orders of magnitude.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008601

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3

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A device for accurate single-crystal X-ray diffraction investigations at non-ambient temperatures: 83–1120 K (1981)

Hong, S. H. ; Åsbrink, S.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 43-50

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A device is described which uses liquid nitrogen to generate a cold or hot gas stream which is blown directly onto the crystal mounted on an X-ray diffractometer. With a specially constructed high-vacuum (〈 1.3 × 10–5 Pa) jacketed silica Dewar tube, it can operate between 83 and 1120 K with a stability over long time periods of ± ¼ K below and ± 1 K above ambient temperature. In the latter case the short-time stability is ± ¼ K for hours. It gives an inert atmosphere at elevated temperatures and allows extensive data collection for the accurate determination of crystal structures. The evaporator, the automatic refilling system and the silica Dewar tube are described.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008649

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4

Digitale Medien

A fitting method for X-ray diffraction profiles (1981)

Hecq, M.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 60-61

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A fitting method is proposed for X-ray diffraction profiles which requires only a small number of parameters.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008686

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5

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Crystal data for two series of solid solutions: (RbxK1−x)MgCr2(VO4)3 and (TlxK1−x)MgCr2(VO4)3 (1981)

Nabar, M. A. ; Phanasgaonkar, D. S.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 61-62

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Complete solid solution is observed amongst the compounds of the type M1MgCr2(VO4)3 (where M1 = K, Rb or Tl). The solid-solution series obtained show linear changes in peak positions and peak intensities in their X-ray diffraction patterns. The crystallographic behaviour with respect to the value of x for (RbxK1−xMgCr2(VO4)3 and (TlxK1−x)MgCr2(VO4)3 solid solutions is discussed.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008698

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6

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Crystal data for ferric molybdate: Fe2(MoO4)3 (1981)

Massarotti, V. ; Flor, G. ; Marini, A.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 64-65

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Indexed powder patterns of the monoclinic phase, stable at room temperature, and of the orthorhombic phase, stable for T 〉 786 K, are given. The cell dimensions are: a = 15.737 (8), b = 9.231 (5), c = 18.224 (9) Å, β = 125.46 (2)° at 295 K; a = 9.330 (3), b = 12.868 (5), c = 9.242 (3) Å at 818.6 K. Linear equations describing the thermal expansion of the two phases of ferric molybdate are reported. To verify if ferric molybdate can incorporate excess MoO3, measurements on non-stoichiometric samples were also made: no evidence of the presence of excess MoO3 was found.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008716

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7

Digitale Medien

Crystal data for high-temperature As2O5 (1981)

Barten, H.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 68-68

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: High-temperature As2O5 at 768 ± 5 K is tetragonal with a = 8.577 (1), c = 4.637 (1) Å, V = 341.2 Å3, Z = 4, Dc = 4.475 Mg m−3. Indexed powder data are given.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S002188988100873X

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8

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Characteristics of a flat multiwire area detector for protein crystallography (1981)

Hamlin, R. ; Cork, C. ; Howard, A. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 85-93

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A flat, relatively thin (9 mm) xenon-filled multiwire proportional counter with two-dimensional, 2 μs delay line readout of a 270 × 300 mm active area has been developed for use as a position-sensitive area X-ray detector in the 8 keV energy region (Cu Kα) used in crystallographic structure work with large biological molecules. Its quantum detection efficiency for 8 keV X-ray photons is about 0.5, a value which is spatially uniform to within ± 2%. Its dead-time loss fraction at a typical data collection rate of 30000 photons s−1 is 12%. The detector has spatial resolution for X-rays of 0.6 mm FWHM in the horizontal direction and 2 mm, the anode wire spacing, in the vertical direction. The effects of parallax are found to be limited and do not seriously increase the apparent size of the diffracted beams. The position sensitivity of this detector is geometrically linear to within 0.5 mm across its active surface. Routine maintenance of the detector requires the attention of a skilled technician but is not time consuming. For four years, this detector has been used to measure millions of reflection intensities from crystals of many different proteins. The down time due to the detector has averaged less than four days per year, considerably less than the down time of other components of the data collection system. Four new protein structures have now been solved using data from this detector. Also, a considerable amount of data have been collected at higher resolution or at different temperatures with crystals of other proteins.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008856

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9

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An assessment of instrumental parameters which control the accuracy of stress measurement using the X-ray diffractometer method (1981)

Doig, P. ; Lonsdale, D. ; Flewitt, P. E. J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 124-130

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The sources of systematic error in the X-ray diffractometer method of stress measurement are discussed. The errors in stress measurement and correction procedures for their elimination are described and quantitatively assessed.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S002188988100890X

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10

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The use of cell and symmetry information for single-crystal orientation on diffractometers (1981)

Le Page, Y. ; Gabe, E. J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 117-123

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The diffraction aspect and rough cell parameters of a crystal to be studied are usually known before mounting the crystal on a diffractometer. Such data are used for orientation purposes in the method described. An ordered list of indexed 2θ values is calculated from which an optimum 2θ for a peak search is derived. The peaks found are centered, their possible unique indices are derived by comparison of the observed 2θ values with the calculated values. Two intense reflections with few indexing ambiguities are selected to define the crystal orientation. Their possible pairs of indices are found by considering combinations of indices related to the unique indices by the Laue-group symmetry and for which the calculated angle between the reciprocal vectors is comparable with the observed angle. Only the non-equivalent orientations defined by these initial pairs will be accepted. An initial pair will be rejected if the indices of both reflections can be transformed into those of a previously accepted pair by a single Laue-group symmetry operator of the first kind. The correct setting is usually obvious from a very short list of possible orientations and is retained. This simple approach has been programmed and treats all symmetries without branching of the logic. Rhombohedral crystals can be referred to hR or rP cells. The possible non-equivalent settings due to metric ambiguities, to pseudo-symmetry or to symmetry are exhaustively listed, but no symmetry-related setting is indicated. This scheme has automatically oriented more than 40 crystals from the seven crystal systems in 20–50 min each. The wavelength, the cell parameters and the short symbol of a valid space group in the correct diffraction aspect are the only input.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008893

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11

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Neutron powder diffraction of forsterite, Mg2SiO4: a comparison with single-crystal investigations (1981)

Lager, G. A. ; Ross, F. K. ; Rotella, F. J. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 137-139

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Neutron time-of-flight powder data have been collected for forsterite [Mg2SiO4; Pbnm (D162h, No. 62); Z = 4, a = 4.7534 (1), b = 10.1989 (2), c = 5.9813 (1) Å] with the ZING-P′ high-resolution diffractometer at Argonne National Laboratory. Forty-seven variables, including anisotropic temperature-factor coefficients, were refined with a profile-fitting procedure to R(profile) = 2.10% and R(Rietveld) = 3.53%. Positional and thermal parameters are in good agreement with those determined from recent X-ray and neutron single-crystal diffraction experiments. Results suggest that powder data can be used to obtain accurate positional parameters and reasonable temperature factors for moderately complex structures.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008935

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12

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Adaptation of a Kratky camera to use with a one-dimensional position-sensitive detector (1981)

Roe, R. J. ; Chang, J. C. ; Fishkis, M. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 139-141

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A Kratky small-angle X-ray camera was modified so as to allow the use of a one-dimensional (one-dimensional) position-sensitive detector (PSD) with it. The modification was designed in such a way that most of the calibrations, necessary for subsequent correction of the collected intensity data, can be performed with little alteration in the collimation geometry or the electronics settings. In particular, the calibration of the uniformity of detector efficiency can be performed by repeated vertical travel of the detector at a constant speed across a beam scattered from a sample.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008947

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13

Digitale Medien

XPKFIT: peak separation with arbitrary relations among the component peaks (1981)

Hayakawa, M. ; Oka, M.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 145-148

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A computer program for the separation of a composite peak into the components and the background has been written in Fortran. Each component is approximated by a function of the form y(x) = c [1 + ({{x - d}\over{e}})^{2}]^{-f}, where c, d, e and f are the parameters to be determined by a least-squares method. Arbitrary, known or assumed relations among the parameters of different components may be read in to reduce the number of independent parameters and save computation time or, in other cases, to offer a better chance of separating a complex composite peak by varying a subset of the parameters.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008984

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14

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BLOKJE, a computer program to calculate the domain of an atom in a structure (1981)

Gelato, L.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 151-153

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A computer program has been written with the aim of calculating the domain of an atom in a structure. The domain may be limited by planes situated half-way between the atoms, or at a distance that takes into account the relative radii of the atoms. Data concerning this domain and the corresponding coordination polyhedron are computed and printed. Punched cards, to be used in a special plotting program, can also be produced. Three types of weighted coordination number are calculated.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S002188988100900X

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15

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The use of continuous diffraction data as a phase constraint. I. One-dimensional theory (1981)

Makowski, L.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 160-168

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Intensity can often be measured as a continuous function of scattering angle in diffraction from non-crystalline specimens. An analysis of the amount of information contained in one-dimensional continuous diffraction data is presented here. This analysis, based on the sampling theorem and the theory of entire functions, indicates that there is a limited but often rather large number of possible phase solutions to any given continuous intensity distribution. A refinement technique has been developed which allows phase solutions to be found that are consistent with the diffraction data and with other physical and chemical data. In favourable cases, when diffraction data is used in coordination with other kinds of data, there can be enough information in a diffraction pattern to identify a unique structural solution.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009060

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16

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The small-angle neutron scattering spectrometer at the University of Missouri research reactor (1981)

Mildner, D. F. R. ; Berliner, R. ; Pringle, O. A. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 370-382

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A small-angle neutron scattering (SANS) spectrometer has been constructed at the University of Missouri Research Reactor Facility (MURR). The design of the MURR–SANS is unusual in that the size of the reactor containment building constrains the flight path to be vertical. This is achieved by Bragg scattering upward through 90° from a set of slightly misaligned pyrolytic graphite crystals to provide a neutron beam at 4.75 Å with a wavelength spread of approximately 4.1%. The beam incident on the sample is defined by two matched variable apertures located either 3.0 or 4.5 m apart. The evacuated scattered flight path is designed with removable extensions to match the primary flight path in length. The instrument has an automatic sample handling capability provided by its own dedicated PDP 11/03 computer. The detector is a large assembly of commercially available linear 3He detectors as an economic alternative to a crossed-wire two-dimensional multi-detector. An array of 43 position-sensitive proportional counters, 24 in (609.6 mm) long and 0.5 in (12.7 mm) in diameter, using charge division gives a spatial resolution of 5 x 12.7 mm. The area-averaged detector efficiency is about 84% at a wavelength of 4.75 Å. The range of scattering vectors that can be measured is 0.005 〈 Q〈 0.15 Å−1. The instrument is well suited to a wide variety of experiments on specimens having characteristic dimensions between 20 and 500 Å. MURR–SANS is designed as a user-oriented facility which provides both reasonable resolution and intensity on sample at a modest cost, and forms part of a neutron scattering center.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009631

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17

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A study of the ordered structures of the Au–Mn system by high-voltage–high-resolution electron microscopy. II. Two-dimensional antiphase structures based on the DO22 structure (1981)

Terasaki, O. ; Watanabe, D. ; Hiraga, K. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 392-400

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Two-dimensional antiphase domain structures existing in the composition range 20–23 at.% Mn were investigated by a high-resolution structure-imaging technique with a 1 MV electron microscope. The structures are based on the DO22 structure and consist of parallelogram-shaped domains containing 4 × 3 columns of Mn atoms and lozenge-shaped domains with 4 × 4 and 3 × 3 columns, and the domains are separated by two-dimensional antiphase boundaries parallel to the ({\bar 2}40) and (240) planes of the fundamental face-centred structure. The configuration of the domains changes delicately with a slight change of composition or annealing temperature, and the symmetry of the structure is lowered below about 670 K. The ideal structure models have compositions of about 22.7 at.% Mn. The images of about half of the specimen area of the 22.6 at.% Mn alloy annealed at 570 K do not correspond to these new structures, but bear a resemblance to the image expected from the two-dimensional antiphase structure proposed by Watanabe [J. Phys. Soc. Jpn (1960), 15, 1030–1040] for Au3Mn, which is based on the L12 structure and has boundaries parallel to the (100) and (010) planes.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009667

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18

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Comparison of two numerical methods for the integration of the Takagi–Taupin equations (1981)

Nourtier, C. ; Taupin, D.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 432-436

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Two methods for the numerical resolution of the Takagi-Taupin equations are compared. It is shown that for a small integration step Taupin's [Acta Cryst. (1967), 23, 25–35] extension to two dimensions of the one-dimensional Runge–Kutta third-order method is more accurate than the algorithm of Authier, Malgrange & Tournarie [Acta Cryst. (1968), A24, 126–136] but, for a given precision, Authier, Malgrange & Tournarie's method is faster than Taupin's so the former will usually be preferred for numerical calculation.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009709

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19

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Dependence of cooling rate of SAXS spectra from a B2O3–PbO–Al2O3 glass (1981)

Craievich, A. F. ; Olivieri, J. R.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 444-446

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The phase separation of an 80% B2O3–15% PbO–5% Al2O3 (weight %) glass after splat-cooling was studied by small-angle X-ray scattering. The wavenumber which receives maximal amplification and the scattering intensity corresponding to this wavenumber were determined as a function of the cooling rate of the glass. The experimental results qualitatively agree with the main features of previous calculations based on the linear theory of spinodal decomposition, but no quantitative agreement is obtained.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009734

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20

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Phase assignment to diffraction patterns based on the analytic properties of scattered fields applied to the structure of nerve myelin (1981)

Burge, R. E. ; Fiddy, M. A.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 455-461

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: An analysis of published X-ray diffraction data from nerve myelin is given based on the properties of analytic functions. Functions defined by a finite Fourier transform may be described by their distribution of zeros. This description allows a phase function to be determined from real data, which is unique in principle. A solution to the phase assignment is given and compared with corresponding published solutions derived by other methods. The strong measure of agreement for the phases of the first nine diffraction orders, and the stability of this agreement against the efforts of experimental error, leads to the conclusion that these phases are probably correct.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S002188988100976X

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21

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Crystal data for [2.1.2.1]paracyclophan C30H28 (1981)

Ghemard, G. ; Souleau, C. ; Sergheraert, S. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 465-465

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The powder data for [2.1.2.1]paracyclophan is reported. This compound is monoclinic with a = 21.44 (4), b = 17.22 (6), c = 9.70 (4) Å, γ = 141.30 (3)°, Z = 4.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009795

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Report of Executive Committee for 1980 (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 491-491

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S002188988100993X

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A simple procedure for fitting a backgound to a certain class of measured spectra (1981)

Steenstrup, S.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 226-229

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A numerical procedure using orthogonal polynomials is used for extracting the background in measured spectra. An X-ray spectrum obtained with the energy-dispersive method is considered as an example.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009242

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Refraction corrections to the diffractometer angles of centered reflections from extended-face single crystals (1981)

McIntyre, G. J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 247-252

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The effect of refraction on the observed diffractometer angles θr, ωr and χr of a centered reflection is discussed for general asymmetric reflection from a finitely absorbing extended-face crystal. Formulae are presented for θr, ωr and χr for symmetric reflection and for θr and ωr for the two extreme positions of asymmetric reflection in terms of the angles calculated assuming that refraction can be neglected.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009291

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Complete determination of subgrain misorientation by an X-ray topographic method (1981)

Kulda, J. ; Polcarová, M.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 265-269

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A modification of the Berg-Barrett X-ray topographic method was developed which enables measurement of all three misorientation parameters of a general subgrain boundary. The described method is based on the evaluation of three topographs of a single, arbitrarily oriented crystal surface taken by symmetric zero-layer reflections. In practical tests performed on an as-grown Fe–3 Wt% Si single crystal, relative accuracy of 10% and angular sensitivity better than 1′ were achieved.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009333

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An interactive graphics system for comparing the model building of macromolecules (1981)

Brandenburg, N. P. ; Dempsey, S. ; Dijkstra, B. W. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 274-279

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: An interactive graphics program is described for use with the Evans & Sutherland Picture System 2 which is suitable for the comparison and refinement of protein structures. Several protein molecules and electron density maps can be viewed simultaneously, while great flexibility exists in creating, modifying and manipulating the picture on the screen. As the program is file oriented, it can be run on a small computer system with only 32 K memory.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009357

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Anomalous thermal expansion of silver gallium telluride (1981)

Kistaiah, P. ; Venudhar, Y. C. ; Sathyanarayana Murthy, K. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 281-284

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A precise X-ray determination of the lattice parameters of silver gallium telluride, AgGaTe2, has been made in the temperature range 301 to 667 K with a Unicam 190 mm high-temperature powder camera. The data have been used to evaluate the coefficients of thermal expansion, α⊥ and α\parallel, at various temperatures. It has been observed that the `c' parameter decreases while the `a' parameter increases with increasing temperature as in the case of AgGaSe2 and AgGaS2, which also have a chalcopyrite-type structure. The magnitudes of both α⊥ and α\parallel increase non-linearly with increasing temperature.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009382

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X-ray extinction contrast in deformed single crystals (1981)

Fries, E. ; Spendel, M. ; Philibert, J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 285-290

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Berg–Barrett topography gives information on large-scale dislocation distribution in deformed single crystals. The Burgers vectors are determined by disappearance of the dark `extinction contrast'. This contrast cannot be extinguished by any single diffracting condition when different types of non-coplanar Burgers vectors are present simultaneously; complementary information by electron transmission microscopy agrees well with this inference. These general remarks are illustrated by some examples on deformed single crystals of α-Al2O3, (Al2O3)1.8MgO, NaCl and Cu2O.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009394

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Diffraction by layer structures containing different kinds of layers and stacking faults (1981)

Plançon, A.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 300-304

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A description is given of a mathematical formalism which allows the study of diffraction by stacks which contain, simultaneously or not, (i) layers of different kinds, (ii) different translations or rotations between layers and (iii) different thicknesses. The formalism allows the calculation of intensities for all the hkl reflections or (h,k) reciprocal rods, and not just the 00l reflections. It accounts for an Sth-neighbour interaction (S≥1).

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009424

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A pilot study of the use and unfocused monochromatic radiation from a storage ring in powder diffraction (1981)

Thompson, P. ; Glazer, A. M. ; Albinati, A. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 315-320

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The results of a trial powder diffraction experiment on the ADONE storage ring at the Frascati National Laboratories (Italy) are described. A (220) channel-cut Si crystal was used to provide a monochromatic beam and it was demonstrated that Debye–Scherrer photographs could be obtained in several hours. It was also shown that very high resolution can be obtained simply by increasing the camera dimensions. Finally, it is shown that with the higher fluxes of the SRS at the Daresbury Laboratory (England) very fast exposures will be possible without the need for focusing.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S002188988100945X

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Modulated structure of iron–carbon martensite studied by electron microscopy and diffraction (1981)

Kusunoki, M. ; Nagakura, S.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 329-336

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Satellite spots appear around every fundamental spot in electron diffraction patterns of iron-carbon martensite (α′) tempered in a temperature range from 273 to 363 K. High-resolution electron microscopic observations show that they are due to the formation of a modulated structure, in which interstitial carbon atom clusters smaller than 10 Å are distributed randomly in a plane nearly parallel to (102)α′, with inter-cluster distance of 10–20 Å and such carbon-rich planar regions are spaced periodically with intervals of 10–20 Å, depending on the carbon content of the martensite. A structure analysis was made by measuring the satellite spot intensity of the electron diffraction patterns, and the displacements of atoms from their average positions in martensite were determined. The result supports the above cluster model for the modulated structure.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009485

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Crystal data for the double oxides MSbO4 (M=Cr, Fe) (1981)

Amador, J. ; Rasines, I.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 348-349

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: MSbO4, (M = Cr, Fe) are tetragonal, rutile-type compounds, P42/mnm (No. 136); Z = 1. M and Sb are randomly distributed in 2(a) positions and O in 4(f). For CrSbO4, Dm = 5.31, Dx = 5.35 Mg m−1, a = 4.5899 (2), c = 3.0525 (2) Å, U = 64.307 (8) Å3, x = 0.318, R = 4.6; Cr and Sb are coordinated with two O atoms at 2.064 and four O atoms at 1.930 Å.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009515

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The fabrication of a dual-element X-ray divergent-beam target (1981)

Schutz, R. J. ; Weissmann, S. ; Yaniero, J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 352-353

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009540

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World Directory of Crystallographers, Sixth Edition (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 354-354

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009576

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Laser crystals edited by A. A. Kaminskii (1981)

Kvapil, J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 355-356

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009606

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Crystal data for the oxidation product of bis(2,2'-bipyridyl)copper(I) perchlorate in nitroalkanes (1981)

Garland, M. T. ; Spodine, E. ; Zamudio, W.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 475-477

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Single crystals of [Cu(bpy)2NO2]ClO4, [Cu(C10H8N2)2NO2]ClO4, C20H16CuN5O2.ClO4, with space group P21/c, were grown from the reacting mixture of bis(2,2′-bipyridyl)copper(I) perchlorate with molecular oxygen in nitroalkanes. The unit-cell parameters are a = 10.83 (2), b = 12.51 (1), c = 17.04 (1) Å, β = 112.0 (2)°, Z = 4, Dm = 1.62 (1) Mg m−3.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009862

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Crystal data for the decavanadates of 2,4-, 3,4-, and 3,5- dimethylpyridine and 2,4,6-trimethylpyridine (1981)

Arrieta, J. M. ; Amigó, J. M. ; Gili, P.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 472-473

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Indexed powder patterns of four monoclinic compounds of general formula (BH)3H3V10O28 .xH2O, where x = 1-2.5 and B = 2,4-dimethylpyridine (J8), (C7H10N)3H3V10O28.1.0H2O, 3,4-dimethylpyridine (J10), (C7H10N)3H3V10O28.1.0H2O, 3,5-dimethylpyridine (J11), (C7H10N)3H3V10O28.2.5H2O, and 2,4,6-trimethylpyridine (J12), (C8H12N)3H3V10O28.1.0H2O are given. The cell dimensions of the unit cells with two molecules are: J8 a = 18.360 (2), b = 10.438 (2), c = 13.503 (2) Å, β = 95.99 (1)°; J10 a = 12.538 (3), b = 13.634 (5), c = 16.662 (5) Å, β = 111.82 (2)°; J11 a = 19.483 (5), b = 10.711 (2), c = 13.020 (4) Å, β = 101.52 (2)°; J12 a = 12.776 (3), b = 22.470 (4), c = 11.790 (3) Å, β = 91.54 (1)°.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009849

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The XIIth Congress of the IUCr, Ottawa, August 1981. An informal report (1981)

Robertson, J. H.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 487-489

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009898

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Crystallographers (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 490-490

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009916

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Notes and News (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 491-492

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009941

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The structure of the I phase, V41Ni36Si23, a pseudo superstructure (1981)

Shoemaker, C. B. ; Shoemaker, D. P.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 1-8

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002069

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The structure of N2 at 49 kbar and 299 K (1981)

Cromer, D. T. ; Mills, R. L. ; Schiferi, D. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 8-11

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002070

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Structure de l'antimoniate de baryum BaSb3O5(OH) (1981)

Thuillier-Chevin, F. ; Maraine, P. ; Pérez, G.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 11-15

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002082

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Structure du métagallate de lithium octahydraté, LiGaO2.8H2O (1981)

Caranoni, C. ; Capella, L. ; Haser, R. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 15-19

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002094

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The structure of 1,5-dichlorocyclotetra(azathiene) (1981)

Zák, Z.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 23-26

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002112

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Hexasodium tetrasulfitopalladate(II) dihydrate, Na6[Pd(SO3)4].2H2O: a structure with a pronounced rod packing (1981)

Messer, D. ; Breitinger, D. K. ; Haegler, W.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 19-23

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002100

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The room-temperature structure of potassium tetrafluoroaluminate (1981)

Nouet, J. ; Pannetier, J. ; Fourquet, J. L.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 32-34

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002136

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Compounds with perovskite-type slabs. IV. Ferroelectric phase transitions in Sr2(Ta1−xNbx)2O7 (x∼0.12) and Sr2Ta2O7 (1981)

Ishizawa, N. ; Marumo, F. ; Iwai, S.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 26-31

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002124

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Stacking variants of MnP4: preparation and structure of 6-MnP4 (1981)

Rühl, R. ; Jeitschko, W.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 39-44

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

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URL: http://dx.doi.org/10.1107/S056774088100215X

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A reinvestigation of the structure of μ-hyperoxo-bis(pentaamminecobalt) tris(hydrogensulfate) monosulfate at room temperature and at 17 K (1981)

Schaefer, W. P. ; Ealick, S. E. ; Marsh, R. E.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 34-38

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

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URL: http://dx.doi.org/10.1107/S0567740881002148

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Tris[cis-dichloro(1,2-diaminocyclohexane)-platinum(II)] hydrate and cis-dibromo(1,2-diaminocyclohexane)platinum(II) (1981)

Lock, C. J. L. ; Pilon, P.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 45-49

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URL: http://dx.doi.org/10.1107/S0567740881002161

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Compounds with intermediate spin. 5. X-ray study of tris(N,N-dimethyldithiocarbamato)iron(III) at the two extreme temperatures 25 and 400 K (1981)

Albertsson, J. ; Oskarsson, Å. ; Ståhl, K. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 50-56

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URL: http://dx.doi.org/10.1107/S0567740881002173

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Structure du μ-oxo-bis[dioxo(o-phénanthroline-N,N')(thiocyanato-N)molybdène(VI)]–acétone (1981)

Viossat, B. ; Rodier, N.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 56-61

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002185

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Stacking variants for doubly-connected systems arranged according to the percentages of hexagonal stacking (1981)

Klepp, K. ; Parthé, E.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 61-67

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URL: http://dx.doi.org/10.1107/S0567740881002203

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Disodium di-μ-hydrido-bis(diethylberyllate) diethyl ether solvate (1981)

Adamson, G. W. ; Bell, N. A. ; Shearer, H. M. M.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 68-71

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URL: http://dx.doi.org/10.1107/S0567740881002215

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Structures of complexes between metal halides and phosphinothioethers or related ligands. XI. [1,9-Bis(diphenylphosphino)-3,7-dithianonane]nickel(II) diperchlorate (1981)

Aurivillius, K. ; Bertinsson, G. I.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 72-75

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URL: http://dx.doi.org/10.1107/S0567740881002227

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The structure of 4aβ,5,8,8aβ-tetrahydro-1-naphthoquin-4α-ol and comparison with some of its derivatives (1981)

Greenhough, T. J. ; Trotter, J.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 126-132

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URL: http://dx.doi.org/10.1107/S0567740881002331

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Structure of 2-methoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-sulfide (1981)

Van Nuffel, P. ; Lenstra, A. T. H. ; Geise, H. J.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 133-136

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URL: http://dx.doi.org/10.1107/S0567740881002343

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The structure of trimesic acid, its hydrates and complexes. VI. Glycine–trimesic acid monohydrate, H3N+CH2COO−.C9H6O6.H2O (1981)

Herbstein, F. H. ; Kapon, M. ; Maor, I. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 136-140

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

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URL: http://dx.doi.org/10.1107/S0567740881002355

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Structure of bisadeninium dinitrate monohydrate, (C5H6N5+.NO3−)2.H2O (1981)

Hingerty, B. E. ; Einstein, J. R. ; Wei, C. H.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 140-147

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002367

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Structure du chloro-21 fluoro-9α hydroxy-11β isopropylidènedioxy-16α,17α prégnène-4 dione-3,20 (1981)

Céolin, R. ; Julien, R. ; Rodier, N.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 148-152

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002379

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Structural investigations of mode of action of drugs. III. Structure of rifamycin S iminomethyl ether (1981)

Arora, S. K.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 152-157

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002380

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Structural differences between 16α,17-butanomorphinan-3-ol and 16β,17-butanomorphinan-3-ol (1981)

Ahmed, F. R.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 188-192

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002471

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The structure of 5-[(1-aminoethylidene)amino]-3-chloromethyl-1,2,4-thiadiazole (1981)

Iwasaki, F. ; Akiba, K. Y.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 185-187

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S056774088100246X

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The structures of polymorphs of N-(p-dimethylaminobenzylidene)-p-nitroaniline (1981)

Nakai, H. ; Ezumi, K. ; Shiro, M.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 193-197

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002483

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The structure of 2,2',4,4',6,6'-hexa-tert-butylbenzil (1981)

Gabe, E. J. ; Le Page, Y. ; Lee, F. L. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 197-200

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002495

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The conformation of heterocyclic spiro compounds. VIII. 3,7-Dimethyl-3,7-diazabicyclo[3.3.1]nonane-9-spiro-5'-hydantoin (1981)

Vilches, J. ; Florencio, F. ; Smith-Verdier, P. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 201-204

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002501

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Structural studies of analgesics and their interactions. VII. Stereoisomerism and disorder in the structure of oxyphenbutazone monohydrate (1981)

Krishna Murthy, H. M. ; Vijayan, M.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 210-213

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002525

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The structure of tetrazole steroid analogues. I. The structure of 17β-(5-methyltetrazol-1-yl)-7a-aza-B-homoandrost-5-eno[7a,7-d]tetrazol-3β-yl acetate (HS-665) (1981)

Husain, J. ; Palmer, R. A. ; Singh, H. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 205-209

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002513

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Structure of (1S,4R,6S)-5-acetyl-6-hydroxy-8,8-dimethyl-2-phenylacetyl-7-thia-2,5-diazabicyclo[2.2.2]octan-3-one (1981)

Kojic-Prodic, B. ; Ru⋅ic-Toroš, Z. ; Herak, J. J.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 214-217

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002537

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Structure of tellurium(IV) pyrosulphate (1981)

Einstein, F. W. ; Willis, A. C.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 218-220

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002549

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Structure of phosphorus(III,V) oxide P4O7 (1981)

Jost, K. H. ; Schneider, M.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 222-224

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002562

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The structure of calcium orthotellurate (1981)

Hottentot, D. ; Loopstra, B. O.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 220-222

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002550

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The structure of TiZn16 (1981)

Saillard, M. ; Develey, G. ; Becle, C. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 224-226

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002574

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Structure refinement of niobium arsenide Nb5As3 (1981)

Laohavanich, S. ; Thanomkul, S. ; Pramatus, S.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 227-228

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002586

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Chlorotris(triphenylphosphine)silver (1981)

Cassel, A.

Copenhagen : International Union of Crystallography (IUCr)

Acta crystallographica 37 (1981), S. 229-231

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Thema: Chemie und Pharmazie , Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0567740881002598

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A new method for quantitative X-ray analysis of multiphase mixtures (1981)

Wölfel, E. R.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 291-296

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Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: This new method for quantitative X-ray analysis of multiphase mixtures is based on transmission measurements of thin samples in combination with absorption measurements from defined circular parts of these samples. The method has the advantage that only a few (1–5) mg of substance are required. There is no limitation on the number of phases because no matrix problems exist. The automated method is safe in operation since the measured intensities (Ed) and absorption factors (S) can be checked for consistency. The measurements are made with monochromatic Cu Kα (or Co Kα) radiation on the STOE/CSS automatic focusing X-ray powder diffractometer. The optical principle of the diffractometer and the theoretical basis of the method are described. The practical use of the method and two examples of analyses are given.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009400

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Determination of surface areas for supported-metal catalysts from small-angle scattering (1981)

Goodisman, J. ; Brumberger, H. ; Cupelo, R.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 305-308

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Thema: Geologie und Paläontologie , Physik

Notizen: A method for obtaining the surface areas `void-support' (S21), `metal-support' (S31) and `metal-void' (S32) from small-angle X-ray determinations of the initial slopes of the correlation functions of metal-free porous support and supported metal catalyst is given. The postulated model requires no special assumptions about the numerical value of S31, and appears applicable to certain experimentally observed systems.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009436

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A theoretical consideration of the influence of surface profile on the measurement of stress using the X-ray diffraction method (1981)

Doig, P. ; Flewitt, P. E. J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 321-325

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Thema: Geologie und Paläontologie , Physik

Notizen: The measurement of stress on machined surfaces using the X-ray diffraction method is discussed. The influence of surface profile on the diffracted peak position is evaluated and considered with respect to its effect on the accuracy of stress measurement.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009461

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Surface features and morphology of electrolytically gel-grown silver crystals (1981)

George, M. T. ; Vaidyan, V. K.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 345-347

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The surface microstructures of (111) and (100) faces and the morphology of silver crystals grown by a new electrolytic method in gel were observed under metallurgical and optical microscopes. A variety of surface features including growth spirals on the surface of as-grown silver single crystals of different morphologies developed on the tertiary three-dimensional (T3D) dendrites have been investigated. The stage-by-stage growth of silver dendrites and crystals represents conceptually a suitable and simple example of self-organization found in the growth of crystals.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009503

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81

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Crystal data for Lu2Si2O7 (1981)

Bretheau-Raynal, F. ; Lance, M. ; Charpin, P.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 349-350

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Lutetium pyrosilicate single crystals Lu2Si2O7 were grown by a floating-zone technique associated with an arc image furnace. The compound is monoclinic, space group C2/m, Z = 2, a = 6.7665 (14), b = 8.8407 (18), c = 4.7195 (27) Å and β = 101.95 (3)°. Indexed X-ray powder data at 294 K are given.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009527

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82

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Crystallographers (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 353-354

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009564

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83

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Delays in Publication (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 354-354

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009588

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84

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Crystal data of branched-chain derivatives of D-psicose (1981)

Sharafi, N. ; Donnay, G. ; Herve du Penhoat, P. C. M. ; [weitere]

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 473-475

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Crystal data are reported for six derivatives of 1,2-O-isopropylidene-3-C-(pyridin-2-yl)-β-D-psicopyranose, C14H19NO6, previously studied in solution by NMR spectroscopy. Molecules that differ only by the replacement of H by CH3 on one non-ring oxygen atom, converting an alcohol to an ether molecule, show no similarity in cell dimensions, and have different numbers of molecules per cell. All six phases belong to non-centrosymmetric space groups, four to P212121 and two to P21; in agreement with previously reported optical activity of these molecules in solution, it is concluded that only molecules of one-and-the-same handedness are present in any one of the crystalline phases.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009850

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85

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Commercial exhibits and data base displays at the XIIth Congress and General Assembly of the International Union of Crystallography (1981)

Yakel, H. L.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 489-490

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009904

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86

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Prices of Acta Crystallographica and Journal of Applied Crystallography (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 490-491

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881009928

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87

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The use of film methods in small-angle X-ray scattering (1981)

Vonk, C. G. ; Pijpers, A. P.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 8-16

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Various sources of random deviations occurring in the determination of X-ray intensities with the aid of film methods are discussed and corresponding mathematical expressions are derived. From a comparison with experimental values of the standard deviations obtained from measurements on homogeneously exposed films, it follows that the deviations are primarily caused by the variations of the X-ray photon flux due to the stochastic nature of the X-ray emission process. The accuracy attainable with most X-ray films is found not to be limited by saturation of the number of excited AgBr particles occurring at increasing exposures, but at low exposures film methods are at a disadvantage because of the presence of fog. If, however, small signals superimposed on a high sample background have to be measured, relatively high exposures are required; in this case film registration is found to be much faster than methods involving step-scanning counters, and in general little slower than registration with the aid of a position-sensitive counter. It is also shown that the dynamic range of the film method may be extended without sacrificing accuracy by resorting to slower films.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008583

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88

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A method for correcting slowly varying small-angle scattering curves for collimation effects (1981)

Walter, G. ; Schmidt, P. W.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 28-32

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A technique has been developed for correcting slowly varying small-angle X-ray scattering curves for the distortions produced by the length of the collimating slits when, as is very often true, slit-width effects are negligible. The method, which is useful with measured scattering curves which decay so slowly with increasing scattering angle that the usual correction procedures do not converge, is based on approximating the measured curve by a polynominal in h2, where h = 4πλ−1 sin θ; 2θ is the scattering angle and λ is the X-ray wavelength. The order j of the polynomial is selected to give the best fit to the measured curve over the entire interval of angles for which data are available. The corrected curve is also a polynomial in h2 of order j, and the coefficients of this polynomial can be easily evaluated. Tests of the method on a theoretical scattering curve and two experimental curves are described.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008613

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89

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Irradiation-induced defects in β'ppp-alumina examined by high-resolution electron microscopy (1981)

Matsui, Y.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 38-42

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: Electron-induced defects in β′′′′-alumina, Na2O.3MgO.7Al2O3, are examined by high resolution electron microscopy. The phenomena can be reasonably explained in the same manner as previously done for a similar case in β′′′′-alumina [Matsui & Horiuchi (1981). Acta Cryst. A37, 51–61]; two spinel-like blocks (each having six oxygen layers) on both sides of the lost conduction plane are directly combined to form cubic close packing of twelve oxygen layers through the minimum shift vectors. The arrangements of cations in a resultant defect block are slightly different from those in the spinel lamella of the same thickness.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008637

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90

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An adjustable diaphragm/collimator for neutron diffraction experiments (1981)

Simms, P.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 58-59

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: In single-crystal neutron diffraction experiments, the environment surrounding the specimen may produce unwanted scattering and this should be limited by a system of simple but easily adjustable diaphragms. Here a system is described which has been fitted to a number of neutron diffractometers at the Institut Laue–Langevin at Grenoble.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008662

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91

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Topographic representation of micro defects (e.g. `swirls') in nearly perfect crystals. A restricting supplement to an earlier claim (1981)

Renninger, M.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 59-59

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The claims of the original paper [Renninger (1976). J. Appl. Cryst. 9, 178–180] that all swirl defects could be detected by the method proposed has now to be modified.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008674

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92

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Crystal data for the low-temperature form of carnegieite NaAlSiO4 (1981)

Klingenberg, R. ; Felsche, J. ; Miehe, G.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 66-68

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The X-ray powder diffraction pattern of the low-temperature form of carnegieite (T 〈 943 K) has been successfully indexed by means of electron diffraction on small particles (10 μm) and subsequent least-squares refinement of 103 reflections from a high-resolution Guinier Cu Kα1 photograph. The lattice constants a = 5.0347 (6), b = 5.0822 (7), c = 16.910 (2) Å, α = 99.00 (1), β = 81.50 (1), γ = 119.09 (1)° correspond to a triclinic derivative (space group P1/P{\bar 1}) of the cubic cristobalite structure type.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008728

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93

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Crystal data for C.I. Pigment Yellow 1, α-(1-hydroxyethylidene)acetanilide-α-azo-(4'-methyl-2'-nitrobenzene) (1981)

Whitaker, A.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 69-70

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The preliminary single-crystal data and powder pattern are reported for C.I. Pigment Yellow 1, α-(1-hydroxyethylidene)acetanilide-α-azo-(4′-methyl-2′-nitrobenzene), C17H16N4O4 (C.I. 11680). The powder pattern has been indexed from the single-crystal dimensions; the problems of multiple indexing have been reduced by comparison with single-crystal intensities.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008741

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94

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The Harwell TAILS computer program (1981)

Rouse, K. D. ; Cooper, M. J.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 72-74

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The Harwell TAILS computer program is a versatile program for crystal structure refinement through the analysis of neutron or X-ray diffraction data from single crystals or powders. The main features of the program, which include the use of integrated intensities as the observed qualities, the ability to apply corrections for extinction and thermal diffuse scattering and the facility for modelling anharmonic thermal vibrations, are described. Examples of its application are also given.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008765

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95

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Notes and News (1981)

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 76-76

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008807

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96

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Molecular beam epitaxy edited by B. R. Pamplin (1981)

Glass, H. L.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 76-77

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008819

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97

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A low-temperature Weissenberg camera for neutrons (1981)

Hohlwein, D. ; Wright, A. F.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 82-84

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The construction and performance of a neutron Weissenberg camera for temperatures down to 4 K is described. Exposure times are similar to the X-ray case. The background from the cryostat walls can be eliminated. Examples of applications in the fields of magnetic structures which are incommensurate with their chemical unit cells, crystallographic phase transitions and diffuse scattering are presented.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008844

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98

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Convolution square root of band-limited symmetrical functions and its application to small-angle scattering data (1981)

Glatter, O.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 101-108

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: A method for the deconvolution of the convolution square of a symmetrical function with a limited range of definition is presented. The solution function is approximated by a number of equidistant step functions. This allows the analytical computation of the integrals of overlap in one-dimensional (lamellar) symmetry, in two-dimensional (cylindrical) symmetry and in three-dimensional (spherical) symmetry. A special iterative linearized weighted-least-squares technique solves the non-linear convolution square-root problem without any a priori information on the solution. As an application, the electron or scattering length density ρ(r) from the distance distribution function p(r) of small-angle scattering is computed as well as the propagation of the statistical error from the input. The influence of imperfect realization of the symmetry conditions is discussed. Numerical instabilities that appear under certain conditions can easily be removed by a stabilization procedure.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S002188988100887X

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99

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Lattice-parameter studies on V0.977Mo0.023O2 the vicinity of the semiconductor-to-metal transition (1981)

Kucharczyk, D. ; Niklewski, T.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 131-133

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The lattice parameters of V0.977Mo0.02302 in the vicinity of the semiconductor-to-metal phase transition have been determined with a Bond-type diffractometer. The transition extends over a temperature range of 0.1 K; and the concomitant volume change, 0.142%, is more than three times as large as that of pure VO2.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008911

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100

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Crystal data for β-PbO2 (1981)

Harada, H. ; Sasa, Y. ; Uda, M.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 141-142

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ISSN: 1600-5767

Quelle: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Thema: Geologie und Paläontologie , Physik

Notizen: The temperature factor (B = 0.70 Å2) and atomic parameter (x = 0.305) were determined by comparing the observed and calculated powder diffraction data for synthetic β-PbO2. This material is tetragonal with a = 4.961 (2), c = 3.385 (2) Å, and space group P4/mnm.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1107/S0021889881008959

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