ALBERT

Notes: Abstract C18H10S2,M=290.34, monoclinic,P21,a=20.556(5),b=15.843(3),c=3.963(1) Å,β=92.79(2)° at 18°C,Z=4,D x =1.496 g cm−3,μ(Cu Kα)=3.53 mm−1. Full-matrix least-squares refinement resulted in a final conventionalR value of 0.036 for 2030 observed reflections. The average C-S bond distance is 1.747(16) Å, the S-S bond length is 2.074(1) Å. The torsion angles at the disulfide group are close to zero, at 3.5 and 0.8°. The carbon frameworks are nearly planar, and closely approximate symmetrymmm. Bond distances are comparable with those in related molecules.

Notes: Abstract The results of an X-ray structure determination of one of the three possible chloride salts of [Cr(en) F2(OH2)2]+ show the two fluoro ligands to betrans to each other. The purple crystals are monoclinic in the space groupC2/c-C 2h 6 , witha=11.409(3),b=9.319(2),c=10.260(3) Å,β=128.73(2)° andD c =1.73 g cm−3 forZ=4. Least-squares refinement based on 1341 independent observed reflections resulted in a finalR of 0.026. The molecule lies on a crystallographic two-fold axis, and the Cr-F, Cr-N, and Cr-O bond lengths are 1.885(1), 2.044(2), and 1.997(2) Å respectively. It is suggested that the ill-defined shoulder in the visible electronic spectrum of this complex is indicative of atrans dihalo geometry.

Notes: Abstract The X-ray crystal structure of 3-ammonium-4-hydroxyphenylarsonic acid chloride dihydrate has been determined from single-crystal diffraction data. The compound crystallizes in the orthorhombic space groupPna 21 with four molecules in a unit cell of dimensionsa=17.712(7),b=13.468(4), andc=4.798(2) Å. The structure was solved by the Patterson method and refined to a finalR value of 2.1%. The average C-C phenyl distance is 1.393 Å, but two bonds are somewhat shorter than the others. This, coupled with the fact that the C-O and C-As bonds are shorter than normal, makes it appear as if there is a minor resonance contributor of a keto form. The C-N bond length of 1.443 Å is intermediate between values found in aminophenols and other ammoniumphenols. The H2AsO3 group is nearly tetrahedral, with the double-bonded oxygen rotated 9° out of the phenyl plane about the C-As bond. There is an extensive hydrogen-bonding system, involving every one of the OH and NH hydrogens, through the chloride and the waters of crystallization.

Notes: Abstract The crystal and molecular structure of white (MNA-1) and yellow (MNA-3) forms of 4-methyl-2-nitroacetanilide have been determined by X-ray diffraction techniques. The crystals of MNA-1 are monoclinic,a=10.421(2),b=9.980(2),c=9.568(2) Å,β=99.51(2)°, space groupP21/c,Z=4. Crystals of MNA-3 are triclinic,a=17.956(2),b=12.908(2),c=4.039(1) Å,α=93.13(2)°,β=83.71(2)°, γ=90.77(2)°, space groupP¯1,Z=4. Both structures were solved by direct methods using theShelx-76 system of programs, and refined using full-matrix least squares. The number of unique reflections used in refinement and the finalR values are: MNA-1, 1545, 0.067; MNA-3, 3127, 0.065. The two distinct molecules in MNA-3 have intramolecular hydrogen bonds and different molecular conformations, although both are fairly planar, and each type is closely packed in columns of parallel molecules along thec direction. In MNA-1 the C=O⋯H-N geometry is indicative of intermolecular hydrogen bonding and the molecules adopt a conformation in which the nitro and amide groups lie in planes at approximately 45° to the benzene ring.

Notes: Abstract The title compound has been synthesized and its structure at room temperature has been solved. It crystallizes in the space groupP21/c, witha=9.581(5),b=13.746(4),c=8.869(1) Å, β=101.000(5)°, andZ=2. The structure was refined toR=0.029 from 1738 reflections. It consists of centrosymmetric dimeric units with two asymmetric end-to-end azido bridges. Each copper(II) ion is fivefold coordinated in the form of a slightly distorted square-based pyramid CuN5. The apical position is occuped by a nitrogen atom of the azido bridge with a Cu-N apical bond of 2.456(6) Å. The Cu-N bond with the azido bridge in the basal plane is 1.979(5) Å. The intradimer Cu⋯Cu distance is 5.004(2) Å. The magnetic properties and the X-band EPR spectrum are interpreted in the light of these structural data.

Notes: Abstract The X-ray crystal structure of a racemic mixture of D- and L-penicillamine has been determined. Crystals are monoclinic,P21/c (No. 14), with cell dimensionsa=11.624(3),b=5.919(1),c=11.482(2) Å,β=114.48(2)°, andZ=2, based on the racemate. The structure was determined by standard methods and refined toR 1=0.0666,R 2=0.0726 for 985 independent reflections. Bond lengths and bond angles do not differ from those in similar structures. Mass spectra and1H and13C NMR spectra are reported ford-penicillamine, and detailed infrared and Raman spectra are reported for solidd-penicillamine hydrochloride,d 5-d-penicillamine hydrochloride,d-penicillamine,d 4-d-penicillamine, anddl-penicillamine. The Raman spectrum ofd-penicillamine in H2O solution as a function of pH is also reported.

Notes: Abstract The crystal structure of SnBr[N(SiMe3)2]3 has been determined from three-dimensional X-ray diffraction data collected by counter methods. This compound crystallizes in the rhombohedral space groupR3c witha=11.970(3) Å, α=99.06(3)°, andZ=2forD c〉 =1.37 g cm−3. The finalR value was 0.027 based on 608 independent observed reflections. The molecule lies on a crystallographic three-fold axis which contains the Sn and Br atoms. The bromine atom is covalently coordinated to the tin atom at a Sn-Br separation of 2.519(2) Å. The three nitrogen atoms complete the bonding to tin with an Sn-N bond length of 2.056(7) Å.

Notes: Abstract C26H38O4,Mr=414.6, is monoclinic,P21/c, witha=15.059(2),b=7.348(2),c=23.164(3) Å,β=90.35(16)°,V c =2563.13(85) Å3,D x =1.07(4) g cm−3,μ(CuKα)=5.28 cm−1. The structure was determined by direct methods and refined by full-matrix least squares toR=0.074 for 2479 observed reflections. The two cyclohexane rings both adopt a chair conformation.

Notes: Abstract 13α-Hydroxy-α-isolupanine (I) and 13β-hydroxy-α-isolupanine (II) crystallize in the space groupP212121 witha=13.123(2),b=13.221(3),c=8.224(1) Å,Z=4 anda=9.745(2),b=11.383(1),c=12.710(2) Å,Z=4, respectively. Structural differences between the epimeric molecules are concentrated around ringA. In (I) ringA has a half-chair conformation, and in (II) it is a distorted sofa. TheA/B ring junction configuration isquasi-trans in the case of (I) andquasi-cis in (II). The above differences can be explained by the different intermolecular interactions observed in these two structures.

Notes: Abstract Crystals of 1-o-nitrophenyl-3-methyl-5-tert-butylpyrazole, C14H17N3O2, are orthorhombic:a=12.0924(6),b=11.3601(7),c=10.2317(4) Å,Z=4, space groupP212221. The crystal and molecular structures have been determined from X-ray diffractometer data by direct methods, and refined by least-squares to a finalR index of 0.034 for 1043 observed reflections. The title compound shows the substituents in the hypothesized positions. Bond distances and angles have reasonable values. The phenyl ring makes an angle of 74.6° with the pyrazole ring and the nitro group is rotated 23.8° with respect to the phenyl ring. The methyl ring in the 3-position exhibits disorder between two possible tetrahedra. Close molecular packing is given by layers of molecules approximately parallel to the (101) plane.

Notes: Abstract Infrared spectra of potassium azidopentacyanocobaltate(III) dihydrate (PACDH) were obtained from the polycrystalline substance, both normal and deuterated, and from the monocrystal using in this case a polarization analyzer. Raman spectra of the normal powder were also obtained. The observed bands were assigned either to the internal vibrational modes of the azidopentacyanocobaltate(III) ion (AC) or to the internal and librational modes of the hydration water.

Notes: Abstract The title compound is C16H20O5, MW=292.3, orthorhombic,P212121,a=9.741(2),b=29.391(7),c=5.354(1) Å from diffractometer measurements,V=1532.8 Å3,Z=4,D c =1.267 g cm−3,D o =1.271 g cm−3 (ether/1,1,2,2-tetrabromoethane), λ(Mo Kα)=0.71069 Å,F(000)=624,μ=1.02 cm−1, crystal dimensions 0.23×0.23×0.40 mm,R=0.049 for 1164 observed reflections. The molecule contains a possibly significant asymmetric ether linkage between the oxacyclohexane ring and the highly anisotropic benzyl ring. The packing consists of zigzagged chains parallel to thea-axis formed by hydrogen bonds. The chains are separated by van der Waals contacts.

Notes: Abstract Δ1(6)-Dehydro-17-oxosparteinium perchlorate, [C15H23N2O]+·C10 4 − , is monoclinic:P21,a=8.620(1),b=14.406(2),c=6.825(1) Å, β=101.97(1)°,Z=2,V c=829.1(1)Å3,D x=1.52g cm−3, μ (Cukα)=21.7cm−1. The finalR was 0.051 for 1159 observed counterreflections. Carbon atoms C(3) and C(4) are highly disordered. This is probably due to conformational properties of the ringA, which are caused by the group situated between ringsA andB. RingsB,C, andD have sofa, sofa, and chair conformations, respectively. The bond distances and valency angles of the quinolizidone moiety (ringsC andD) are in good agreement with those obtained previously for 17-oxosparteine (free base) and its perchlorate salt. The title compound was obtained from Δ5-dehydro-17-oxosparteine, the product of mercuric acetate dehydrogenation of 17-oxosparteine. From IR spectra in the condensed phase and13C-NMR measurements in DMSO-2H6 solution, it is evident that, in the crystalline state as well as in solution, the immoniumlactam molecular structure is present in the compound studied.

Notes: Abstract The crystal structures of the two carboxylic amides C13H10N2O3 (I) and C14H13NO2 (II) have been determined by direct methods and refined by full-matrix least squares. The predominant structural feature is the hydrogen bonding (N-H⋯O=C) which influences the conformations of both structures.

Notes: Abstract The coefficient σ1 describing the linear dependence of proton magnetic shielding on density has been measured for the gases CH4, C2H6, C2H4, CH3F, CH2F2, CHF3, and H2S at 20° C for some other temperatures. Measurements were made at 220 MHz. Corrections for bulk susceptibility give fairly good agreement with earlier values but make clear that existing susceptibility data are inadequate for making these corrections precisely. A temperature variation of σ1 is detectable for all the gases except methane.

Notes: Abstract Crystals of 9-methyladenine salicylate (C6H8N 5 + ·C7H5O 3 − ), mp 126°C, are orthorhombic, space groupPbcn (D 2h 14 , No. 60) witha=25.305(3),b=8.066(1),c=12.928(2) Å,d c=1.446 g cm−3,d m=1.43 g cm−3 (CCl4/ cyclohexane) forZ=8. The 9-methyladenine, protonated at N(1), and salicylate form a pair of strong hydrogen bonds with N⋯O distances of 2.617 and 2.858 Å. In addition, a hydrogen bond is formed between two adenine moieties using the amino group and imidazole nitrogen, N(7), with N⋯N separation of 3.114 Å. As in salicylic acid, an intermolecular hydrogen bond of 2.560 Å is formed between the hydroxyl and a carboxyl oxygen atoms.

Notes: Abstract 13C-enriched carbido carbonyl clusters of the type [M6C(CO) n ] z− (M=Fe,n=16,z=2; M=Ru,n=16 ifz=2 andn=17 ifz=0) have been prepared and their IR spectra observed in the 900−600 cm−1 region; the band shifts occurring upon13 C substitution enable the assignment to the stretching modes of the interstitial C atom. Band patterns reflect the symmetry of the M6C core, but the frequencies seem dependent on other molecular features.

Notes: Abstract A mathematical description for the symmetry coordinates of the vibrational fundamentals of five-membered ring systems is presented. A force-constant calculation was performed for 1,3-dioxol-2-one and compared with results assuming an ideal pentagon. Though the deviation of the ring fromD 5h , symmetry is rather small, some force constants already show differences in the first digit.

Notes: Abstract The title compound, C15H22N2O2, is monoclinic:P21,a=10.876(2),b=8.620(2),c=7.390(2) Å, β=99.2(2)°,Z=2. TheA/B ring junction configuration isquasi-trans, and theC/D junction istrans. RingA has a conformation intermediate between sofa and half-chair; ringsB,C, andD are in chair, boat, and distorted chair conformations, respectively.

Notes: Abstract From the1H,13C, and119Sn NMR spectra at different temperatures, it is concluded that the 5-alkyl-5-aza-2,8-dioxa-1-stanna(II)bicyclo[3.3.0]octanes dimerize in nonpolar solvents. The barrier for dimerization is lower (ΔG

Notes: Abstract 1,8-bis(dimethylamino)naphthalene hydrobromide dihydrate, C14H19N 2 + Br · 2H2O, crystallizes in the space groupPnma witha=7.264(1),b=11.794(1),c=18.986 (2) Å,Z=4,D m =1.34 g cm−3,D X =1350 kg cm−3. The structure was determined by Patterson and Fourier methods and refined to anR factor of 0.038. The 1,8-bis(dimethylamino)naphthalene cation has mirror symmetry, with the mirror plane passing along the C(9)-C(10) bond. The two N atoms are moved slightly out of the naphthalene plane. Theperi interactions are discussed in relation to aromaticity and to the N-C (ring) bond lengths. The structure contains channels of H bonds (Br− and water molecules) parallel toa which alternate with channels of cations in theb andc directions. One of the water molecules is disordered.

Notes: Abstract Measurements of the Doppler effect of the annihilation γ-line and of the positron lifetime were carried out in three series of solid coordination complexes; the Mössbauer spectra of the iron-containing samples were also recorded. The lack of correlation between the Móssbauer and positron annihilation parameters suggests that electrons of the ligands rather than those of the central atoms dominate in positron annihilation processes.

Notes: Abstract Ab initio gradient calculations of the geometries of 1,3-dioxol-2-one, -thione, -onium, and the analogous 1,3-dithioles are reported. Together with force constants derived from GVFF calculations, these results give evidence of the changes in structure when substituting oxygen by sulfur. The electronic structure as well as the vibrational behavior are mainly determined by the electronic delocalization of the heteroatoms.

Notes: Abstract The 1∶1 crystal complex of salicylic acid (C7H6O3) and urea (CH4N2O), mp 121° C, is monoclinic, with space groupC2/c (C 2 6 h, No. 15) and unit cell dimensionsa=22.206(3),b=5.108(1),c=17.177(2) Å,β=106.18(1)°.d calc=1.407 g cm−3,d meas=1.41 g cm−3 forZ=8. The structure was determined by direct methods and refined by a full-matrix least-squares procedure to giveR=0.057 andR w =0.050 for 1652 integrated intensities above 2σ(I). The structure contains a strong OH⋯O hydrogen bond with O⋯O distance 2.54 Å in which the carboxyl OH group is donor and urea oxygen atom is acceptor. There are two NH⋯O intermolecular hydrogen bonds with N⋯O distances of 2.90 and 2.96 Å. Additionally, the salicyclic acid contains an intramolecular OH⋯O hydrogen bond of 2.56 Å.

Notes: Abstract Crystals of [NOMo(S2CNET2)2diars]+BF 4 − are monoclinic, space groupI2/a with eight molecules in a unit cell of dimensionsa=25.808(5),b=11.017(2),c=23.275(5) Å, andβ=108.10(2)°. The structure was solved by the heavy-atom method and refined by full-matrix least-squares calculations with anisotropic thermal parameters.R=0.048 for 2038 reflections withI〉3σ(I). The crystal structure contains discrete ions separated by normal van der Waals distances. The Mo atom has a distorted pentagonal bipyramidal geometry with the NO group and one S atom axial. Principal dimensions are: Mo-As 2.634(2) and 2.626(2); Mo-S(eq) 2.535(4), 2.530(4), and 2.503(3); Mo-S(ax) 2.552(4); Mo-N 1.78(1); N-O 1.19(1) Å; and Mo-N-O 175.9(9)°.

Notes: Abstract The crystal structure of noxiptyline hydrochloride C19H23N 2 + OCl− (5-dimethylaminoethyloximino-5H-dibenzo[a,d]cyclohepta-1,4-diene hydrochloride), is monoclinic:P21/c, a=15.894(5),b=9.116(2),c=13.755(4) Å,β=113.00(7)°,Z=4. It has been determined by application of a multisolution direct method procedure, and refined by full-matrix least squares to a conventionalR of 0.056 for 1674 counterreflections (to 2Θ=44°, MoKα radiation). The noxiptyline molecule adopts a folded boat conformation with dihedral angle between benzo-group planes of 129.3°, and the atypical dimethylaminoethyloximino side chain adopts agauche-gauche distribution about the O-Cβ and Cα-Cβ bonds. The only intermolecular approach less than van der Waals distances is the hydrogen bond between the amine nitrogen atom and the chloride ion.

Notes: Abstract Crystals of C4H10NO2Cl, M r =139.58 are monoclinic,P21/c, witha=7.061(2),b=7.194(2),c=13.932(3) Å,β=98.88(2)°,V=699.2(5) Å3,Z=4,D x=1.326(1) g cm−3. The structure was solved by hand application of direct methods and refined to a goodness of fit of 1.7 for 1212 reflections and 114 parameters (R=0.028 for 1202 reflections withF 2〉0).

Notes: Abstract The optical absorption spectrum of Ni2+ doped in NH4Br single crystals has been studied at room and liquid-air temperatures. The observed ambient bands at 6300, 11,600, 13,400, 18,500, and 20,000 cm−1 have been assigned, respectively, to the transitions3 A 2(F) →3 T 2(F),3 T 1(F),1 E(D),1 T 2(D and3 T 1(P). The crystal field parameters evaluated areD q=630 cm−1,B=850 cm−1, andC=3600 cm−1. In assigning the location of Ni2+ ions within the lattice, evaluations are made of the (limited) extant comparable data. It is then concluded that Ni2+ enters an octahedral interstitial, rather than a substitutional, site. It is surrounded by four bromide ions, in a plane, with two polarized water molecules at the opposing fifth and sixth positions.

Notes: Abstract The crystal structure of CoCl(PMes3)3 has shown that the compound is not isostructural with its rhodium analogue. The title compound crystallizes in the cubic space groupPa 3 (No. 205) whereas the analogous Rh compound belongs to the triclinic space groupP ¯1. The cobalt derivative exhibits unit cell constanta=15.490(7) Å andZ=8 forDc=1.15 g cm−3. Full-matrix least-squares refinement gave a finalR value of 0.055 for 283 observed reflections. The Co-Cl bond in the molecule lies along a crystallographic three-fold axis with a Co-Cl distance of 2.21(1) Å. The unique Co-P distance is 2.240(6) Å.

Notes: Abstract The structure of the title compound (C22 H20O2S) is orthorhombic with space groupPca21,a=15.467(8),b=9.410(6),c=25.092(7) Å andZ=8. It has been solved by direct methods and refined by full-matrix least-squares techniques (phenyl rings as rigid bodies) to a conventionalR factor of 0.088 for 1056 reflections. There are only minor differences in the geometry of the two crystallographically nonequivalent molecules. The center ring of the molecule adopts a folded-boat conformation, with a very small angle (106°) between the two benzo-group planes of the (6,7,6) system.

Notes: Abstract The diacetic acid adduct of guanidinium tetrabromochromate(II) crystallizes in the monoclinic crystal system:a=8.778,b=9.125,c=12.195 Å,β=89.84°, space groupP21/n,Z=2. The structure was determined using the heavy atom method followed by Fourier methods and refined by full-matrix least-squares toR=0.061 for 2221 observed reflections. The structure contains discrete [CrBr4(HO2CCH3)2]2− anions separated by [C(NH2)3]+ cations. The chromium(II) atom is six-coordinate withtrans pairs of Cr-Br bonds of unequal length (2.84 and 2.63 Å), and two acetic acid molecules completing the coordination.

Notes: Abstract The reaction of Au11[P(p-ClC6H4)3]7(SCN)3 with 1,3-bis(diphenylphosphino) propane (dppp) in methylene chloride leads to the formation of [Au11(dppp)5] (SCN)3 by a total substitution of the ligands. The compound crystallizes in the triclinic space groupP¯1,a=17.369,b=18.222,c=27.810 Å, α=104.00,β=105.25, γ=85.47°,Z=2. The structure was determined by a combination of Patterson, DIRDIF, and Fourier methods, with diffractometer data and refined by least-squares group refinement toR=0.081 for 2774 reflections.

Notes: Abstract A redetermination of the crystal structure of the gold cluster [Au9{P(p-MeC6H4)3}8](PF6)3 has been performed. The compound crystallizes in the tetragonal space group P¯4n2, witha=20.283,c=20.330 Å, andZ=2. The structure was determined by a combination of Patterson and Fourier methods, with diffractometer data, and refined by least-squares methods toR=0.065 for 2435 reflections.

Notes: Conclusions Compared with most routine structure determinations, analyses of gold cluster compounds are very measuring-time, computer-time, and man-time consuming, and give less accurate results. However, they are equally useful and relevant as far as chemical information is concerned, even when only the gold skeleton and its connectivity with the ligands have been determined. TheR value is a poor guide to the value of a structure determination of this kind. One may even question whether one should take all possible precautions (change X-ray tubes, measure crystal faces, measure high-order reflection intensities) and try to locate light atoms, or perform three or more incomplete analyses of different compounds; certainly the latter gives more chemical information. Of course, none of the difficulties summarized in this note are unique for gold cluster compounds; the conclusions given here are valid generally.

Notes: Abstract The crystal and molecular structure of [Co(NO)(ketox)2], where ketoxH is 2-hydroxyacetophenoneoxime, have been determined. This nitrosyl crystallizes in the orthorhombic system,a=14.741,b=6.853,c=32.442 A,Z=8, space groupPbca. The structure was determined by the heavy-atom method, using Mokα diffractometer data, and refined by full-matrix least squares toR=0.041 for 1768 observed reflections. The molecule excluding the nitrosyl group is approximately planar. The cobalt atom is 5-coordinate in an essentially square pyramidal arrangment with the basal plane defined bytrans bidentate oximato ligands between which are strong hydrogen bonds. The nitrosyl group occupies the apical position and the Co-N-O angle is 126.3°.

Notes: Abstract The title compound is (μ-H)Ru3(CO)7(μ-As(C6H5)CH2As(C6H5)2)((C6H5)2 AsCH2As(C6H5)2)·CH2C12. Crystal data: monoclinic,P21/n, cell parameters (X-ray)a=12.82(2) Å,b=22.91(2) Å,c=17.83(2) Å, β=99.1(3)°; (neutron)a=12.94(1) Å, β=22.95(2)Å,c=17.93(3)Å,β=99.55(5)°. The structure was solved from X-ray data. FinalR indices areR(F)=0.051,R w (F)=0.049 (X-ray);R(F)=0.064,R w (F)=0.048,R(F 2)=0.072,R w (F2)=0.088 (neutron). The complex is derived from Ru3(CO)8(dpam)2 through reaction with hydrogen. The structure consists of a triangular array of metal atoms involving three metal-metal bonds[Ru(1)−Ru(2)=2.912(7)Å;Ru(1)−Ru(3)=2.829(3) A; Ru(2)−Ru(3)=2.845(6) Å]. The metal-metal edge Ru(1)−Ru(2) is supported by a bridging bis(diphenylarsino)methane ligand which lies in the equatorial plane. Activation of the second dpam ligand has generated the new face-bridging ligand unit μ-As(C6H5)CH2As(C6H5)2. In this unit, the bridgehead As atom spans over the Ru(1)−Ru(2) bond, while the second As atom is only bonded to Ru(3). The metal environment is achieved by CO ligands. The hydride ligand is bridging the Ru(1)−Ru(2) vector [Ru(1)−H=1.791(10) Å; Ru(2)−H=1.818(8) Å]. Geometric features of the dibridged Ru(μ-H)(μ-As)Ru bond are discussed.

Notes: Abstract The X-ray structure determination of (η 5-C5H5)Co(HNC6H4NH) (Ib) reveals that the compound crystallizes in the monoclinic space groupP21/n witha=12.479(3),b=8.865(2),c=17.817(5) Å, {iβ}=94.70(2)°,V=1964.4(6) Å3,Z=8 (two independent molecules form the asymmetric unit). Least-squares refinement based on 1894 independent observed reflections,I≥2.5σ(I), resulted in a finalR value of 0.054. A pattern of somewhat shortened Co-N bonds (〈av〉 1.83 Å), short C-N bonds (〈av〉 1.34 Å), Co-N-C bond angles consistent with trigonally hybridized N, and a nearly planar metallocyclic ring suggest that some electron delocalization may exist in the ring. This pattern, however, may also be explicable in terms of factors other than delocalization; alternatives are discussed. The structure may best be regarded as a CoI complex containing ano-quinonediimine ligand.

Notes: Abstract Reexamination of the structures and electronic spectra of Ln(antipyrene)6I3 crystals indicates that the series is isomorphous [space groupR3, (No. 146);Z=1] at room temperature despite spectral evidence of a centric ligand field for the Ln ions. High birefringence and phase changes at lower temperatures (〈60 K for Ln=Pr) limit the possibilities for CD meaurement.

Notes: Abstract Recrystallization from hexane of diastereomeric (S)-((R/S)-1-chloroethyl)-methyl-1-naphthalenylphenylsilane, C19H19ClSi, initially yields crystals composed of only one stereoisomer, whose crystal structure has been determined. The crystals are orthorhombic, space groupP212121 (No. 19), with four formula units in a cell of dimensionsa=7.729(4),b=11.239(1), andc=19.214(3) Å. Intensities were measured (Mo radiation) for all reflections having 2θ〈43°, but only part of the data were collected from 43 to 60° due to crystal decomposition. The structure was solved by direct methods and refined by full-matrix least-squares calculations to a finalR of 0.0378 for 2074 reflections havingI〉3σ(I). The crystal structure is composed of discrete molecules having theS configuration at both Si and alpha-C(2) asymmetric centers, and in which the naphthalenyl group bonded to Si is juxtaposed to the Cl bonded to C(2). The plane of the naphthalenyl group almost eclipses the Si-C(methyl) bond, and a similar relationship exists between the phenyl group and the Si-C(2) bond.

Notes: Summary The present paper deals with a method of back analysis to be utilized for the interpretation of field measurements in monitoring the stability of tunnels. The method belongs to an inverse approach based on the finite element formulation, assuming the ground media in which tunnels are excavated to be linear, isotropic and elastic. Assuming Poisson's ratio and the vertical initial stress, the method derives the complete initial state of stress and Young's modulus from a set of relative displacements measured between adjacent measuring points. In order to verify the applicability of the proposed method of back analysis to practical engineering problems, a case study is presented.

Notes: Conclusions 1. Micro hardness tests of compressed crushed rock indicate that the plastic behaviour of powder of ductile rocks, in this case a marble, resembles that of intact rock, irrespective of the deformation history of the crushed material. The inelastic deformation of such rocks under a bit can then be treated by plasticity theory. 2. The deformation properties of crushed material of granite and sandstone are of a brittle nature. Preserved grain interlocking, shape of grains (original or fractured) and degree of confinement are important factors in this respect. 3. Crushed rock powder can reconsolidate at pressures considerably lower than the contact pressure under a button of a drill or a disc cutter. Compacted crescents are then easily explained by the confined situation and the available pressure under a drill bit. 4. The inelastic zone of brittle rocks is partly kept in place by friction between tool-inelastic zone, inelastic zone-elastic matrix and by internal friction. If this friction can be reduced by some chemical agent, the inelastic zone could perhaps be squeezed out. Penetration will also increase after removal of the inelastic zone between cuts, e. g. by flushing or by some mechanical method.

Notes: Summary The crystal structure of the mineral sahamalite (Mg,Fe)RE2(CO3)4 (a=5.894,b=16.116,c=4.612 Å; β=106.54°;Z=2; space group:P21/a−C 2h 5 ) was determined by direct methods and refined with full-matrix least squares for 1453 reflections toR=0.043. In the atomic arrangement the MO6 octahedra (M=Mg,Fe) are combined by carbonate groups over common corners to [M(CO3)4]6− chains parallel to [001]. Three of these chains are linked by the RE atoms (resp. REO9 polyhedra) to a framework.

Notes: Summary Hydroxyl bearing topaz suffers beam-damage in the electron microscope. Irradiation by the beam rapidly produces contrast from strain fields around small needle-shaped pores about 2–5 nm wide and 30–120 nm long, produced by the loss of hydrogen as water and/or hydrogen fluoride. In the majority of cases the damage ceases after a short period of time, and the topaz electron diffraction pattern remains apparently unchanged. In a few cases complete breakdown of the topaz occurs to produce mullite and/or fine-grained γ-alumina, the latter usually being sputtered onto the carbon support film. The different degrees of breakdown which are found in the electron beam are similar to reactions which occur on heating in air. Although the main factor which determines the degree of beam-induced damage which occurs is believed to be temperature, the heating effect of the beam is alone unlikely to cause the reactions. The lowering of reaction temperature is attributed to mechanically induced enhancement of diffusion in the electron beam and to the weakening of chemical bonds by ionisation effects. The strain fields found in topaz were also produced in samples of humite and apatite observed in the electron microscope, and the formation of fine-grained metal oxides was found in several silicates and phosphates.

Notes: Zusammenfassung K2TiSi6O15 wurde hydrothermal aus TiO2 und SiO2 in 2,5 molarer K2CO3/H2O-Lösung bei 375°C und 1,5 kbar dargestellt. Die farblosen Kristalle sind meist nach (100) verzwillingt. Die optischen Daten wurden auf dem Spindeltisch ermittelt mitn x =1,6190(5),n y =1,6551(5),n z =1,669(1). K2TiSi6O15 ist isotyp mit Dalyit. Die Kristallstrukturverfeinerung ergab einenR-Wert von 0,034. SiO4-Tetraederketten sind untereinander zu Schichten parallel (101) verknüpft und diese über die Ti−O- und K−O-Koordinationspolyeder zu einem dreidimensionalen Gerüst.

Notes: Summary The Ruten Sequence of the basic Fongen-Hyllingen complex is composed of rhythmically layered olivine-plagioclase-clinopyroxene-orthopyroxene-Fe−Ti oxide cumulates. Phase layering is defined by the entry of orthopyroxene and Fe−Ti oxides. Only limited cryptic variation occurs through the c. 1800 m thick cumulate sequence. Rhythmically repeated units of interlayered dunite and troctolite are common throughout most of the sequence. Dunite units range from laminae a few centimeters thick to massive units 2–3 m thick. The modal abundance of olivine in the cumulates varies from 7 to 100 wt.%. In cumulates with MgO above 15 wt.% plagioclase and clinopyroxene occur in relatively fixed ratios between 4:1 and 3:2. Clinopyroxene-rich layers less than a centimeter thick are present only in olivine gabbros. In these, with MgO below 15 wt.%, modal variation of clinopyroxene in part controls the chemical variation of the cumulates. The modal and normative proportions of cumulus phases in the olivine gabbros can be related to equilibrium cotectics in the natural basalt system at approximately 5 kbar. It is suggested that the olivine-rich layers originated by supersaturated nucleation and growth of olivine.

Notes: Summary Whole rock and mineral analyses of about 30 spinel lherzolite and harzburgite xenoliths from Tertiary alkali olivine basalts, limburgites and olivine nephelinites have been performed. After testing various geothermometers, a few pyroxene solvus calibrations, the Wells geothermometer and the calibration of Ca in olivine were favoured. “Wells-temperatures” range from 1100°C to less than 900°C. Several low temperature xenoliths lack equilibrium documented in heterogeneous mineral grains and deviations from regular Al, Cr partition between coexisting minerals. P-T correlations are derived from a continental geotherm corresponding to a surface heat flow density of 65 mW/m2. Several spinel peridotites must have existed outside the field of spinel stability. All xenoliths exhibit a coarse-grained granular texture without recrystallization from shearing in diapiric mass movements. The average modal composition of 73 vol.-% olivine, 18 vol.-% orthopyroxene, 7 vol.-% clinopyroxene and 1.3 vol.-% spinel is close to xenoliths from the Eifel and from worldwide sampling. Host basalts are most probably products of partial melting from phlogopite bearing peridotites, the phlogopite being the result of interactions between peridotite and metasomatic mantle fluids.

Notes: Summary Steenstrupine possesses an exceedingly complex crystal structure. At least 21 different elements may play some role in the structure. A possible end-member formula could be Na14Ce 6 3+ (Mn2+Mn3+)Fe 2 3+ (Zr,Th)4+(OH)2(PO4)6(Si6O18)2·3H2O, space group $$R\bar 3m$$ ,a=10.460(4),c=45.479(15) Å,Z=3. The crystal structure, determined on an anisotropic grain from Tunugdliarfik, South Greenland, was deciphered by Patterson and electron density syntheses.R=0.073 for 1740 independent relfections. Twenty-three atoms occur in the asymmetric unit. The structure, projected down thec-axis, is based on the Kagomé net, {(6·3·6·3)4}, and can be described as a rob structure. Rod I at (00z), etc., has the sequence M(1)−Na(1)−OH−M(3)−M(2)−tq(1)−T−tq(1)−M(2)−M(3)−OH−Na(1) and rod II at (1/3 1/6z), etc., has the sequence Na(3)−P−P−Na(3)−Si(2)−Na(2)−RE−Si(1)−RE−Na(2)−Si(2). In rod I, T is a disordered (PO4) group and the sequence Na(1)−M(1)−Na(1) is a face-sharing octahedral trimer and M(3)−M(2) a face-sharing octahedral dimer. A (Si6O18) six-membered ring occurs, with approximate point symmetry {C3i}. It is suggested that the apical oxygens in the 6-ring can be hydroxylated, balancing the removal of the Na(2) and Na(3) large cations of low charge: Na 12 1+ →□12 as [Si6O18] 2 12− →[Si6O12(OH)6] 2 6− .

Notes: Summary New data confirm that most petalites are slightly Li-deficient, Al-excessive and (OH)-bearing with respect to the idealized formula LiAlSi4O10. Primary substitution or secondary hydrolysis involving H+⇌Li+ or 3 Li+⇌Al3++2□, or both, are responsible. No evidence was found for either significant participation of other substitutions, or incipient alteration into hydrous silicates. The Fe content seems to be restricted to less than 0.003 per 20 oxygens. The Ga contents (22–64) and Al/Ga (3577–1378) are moderate, similar to other framework aluminosilicates in parent pegmatites. Statistically identical IR absorption spectra and unit-cell dimensions indicate ordered Si−Al−Li distribution in all natural as well as synthetic samples examined. For quartz-saturated bulk compositions, the stability field of petalite is bounded by beta-spodumene at high T, by spodumene at moderate to high P and T, and by eucryptite (or bikitaite) at low P and T. Kinetic factors such as sluggish reaction rates at low T and low solubilities of aluminosilicates in CO2-rich fluids may account for the metastable preservation of petalite in some pegmatites.

Notes: Summary The crystal structure of reinhardbraunsite, Ca5(SiO4)2(OH,F)2, was determined from diffractometer data and refined toR=0.033 for 1585 independent reflections. Reinhardbraunsite crystallizes monoclinic,P21/a, witha=11.458(2),b=5.052(1),c=8.840(2) Å, β=108.91(1)o,Z=2. The structure is very similar to the structure of synthetic calciochondrodite, Ca5(SiO4)2(OH)2. Except of the SiO4 tetrahedron all mean cation-anion and anion-anion distances are slightly decreased due to the partial replacement of OH by F. A comparison of the Mg, Mn and Ca members of the chondrodite group shows that mean M-O distances and cell volumes are linearly related to the effective ionic radii. Polyhedral distortions are also approximately linearly related to the mean M-O distances.

Notes: Summary The crystal structure of tancoite, LiNa2H[Al(PO4)2(OH)],a=6.948(2),b=14.089(4),c=14.065(3) Å,V=1376.8 Å3,Z=8, space groupPbcb, has been solved by Patterson and Fourier methods and refined by a full-matrix least-squares method to anR index of 6.1% for 1086 observed (3 σ) reflections. The structure is characterized by [Al(PO4)2 (OH)] chains (type VI ofMoore, 1970)∥ Z, that are cross-linked by [8]-coordinated Na atoms. The basic symmetry of this arrangement isAcmm, withc=1/2c (tancoite), and the diffraction pattern of tancoite is characterized by a very strong subcell of this type. The lower symmetry of the full tancoite structure is caused by the Li and H atoms, whose arrangement cannot be compatible with the subcell symmetry; the Li is [5]-coordinate, and the H forms a symmetrical hydrogen bond (on the timescale of the X-ray experiment) between two phosphate oxygens. The tancoite substructure is a potential parent for a considerable number of derivative structures that could arise from cation ordering in the intra-chain tunnels. The [M(TO4)2Ø] type VI chain is the basis of a small family of sulphate, phosphate and silicate minerals with closely related structures. In the sulphates and phosphates, the chains are always isolated, but in the silicates, the chains may polymerize to form two-and three-dimensional frameworks.

Notes: Zusammenfassung Die Untersuchungen der Elektronendichteverteilung im Dolomit, CaMg(CO3)2, (a hex =4,808(1) Å,c hex =16,022(3) Å, Raumgruppe $$R\bar 3$$ ,Z=3) erfolgten an natürlichem Material mit Röntgenbeugung (810 symmetrieunabhängige Reflexe mit sin ϑ/λ⩽1,180 Å−1 undI 〉 2,5 σ I ) sowie Neutronenbeugung (684 symmetrieunabhängige Reflexe mit sin ϑ/λ⩽1,085 Å−1 undI 〉 2,5 σ I ).Die konventionelle Strukturverfeinerung konvergierte beiR(X)=0,018 (R w (X)=0,022) bzw.R(N)=0,030 (R w (N)=0,034). Dynamische DeformationsdichtenF o (X)−F c HO (X) undF o (X)−F c (N) Differenzfouriersummationen wurden zur Interpretation der Elektronendichteverteilung herangezogen. Weiters wurden statische Deformationsdichten aus den Parametern einer Verfeinerung mit dem Multipol-Modell (Hirshfeld, 1971) berechnet. Nahe dem Mittelpunkt der C-O-Bindung liegt ein Maximum der Elektronendichte; zwei weitere liegen in den “lone-pair”-Bereichen des O-Atoms. Die Mg-Atome scheinen eine im Vergleich mit den Ca-Atomen stärker polarisierende Wirkung auf das O-Atom zu haben.

Notes: Summary Sphalerite from zinc deposits in the Ordovician and Devonian of the French central Pyrenees contains several Ge-and Ga-rich mineral phases. Two of them are new minerals: argutite and carboirite. Argutite, GeO2, tetragonal, in subhedral crystals, sometimes twinned (101), generally less than 10 microns in size. Optical properties are very close to those of cassiterite. Reflectances (R mean): 13.7 (420), 11.0 (500), 10.91 (600), 11.0(700), 11.8 (800nm). Microprobe analyses show a little replacement of Ge by Zn, Mn and Fe. The mineral is named after the Plan d'Argut deposit. Brunogeierite, Fe2GeO4, cubic,a=8.416 Å. Very frequent in studied samples. Close to the end-member Fe2GeO4. Sometimes associated with aGa-rich magnetite (3.5% Ga2O3).Carboirite, FeAl2GeO5(OH)2, triclinic,a=9.513,b=5.569,c=9.296 Å, α=96.08°, β=101.52°, γ=89.45°,V=479.8 Å3,Z=4, space group $$C\bar 1$$ ; refractive indices;n α=1.731,n β=1.735,n γ=1.740, 2V=60–75°,Z|⊥ (001)=7°. Optical axes plane ⊥ (010), strongly pleochroic; polysynthetic twins along (001). Strongest lines in the powder pattern: 4.528(10), 3.020(8), 2.728(9), 2.480(9), 1.608(7). Crystals are frequently zoned; there is a complete solid solution series between carboirite and chloritoid. It has been named after the Carboire deposit. Carboirite is replaced by aGe-equivalent of lepidomelane, with an ideal formula of (K,Na,H3O)2 (Fe 5 2+ Fe 1 3+ ) (Ge5Al3)O20(Cl2OH2).Quartz included in sphalerite contains up to 0.87% GeO2.Chlorites included in sphalerite have a composition of ripidolite and show up to 3.78 at.-% Ge on tetrahedral sites of the structure. They contain up to 1.73% Ga2O3. Chlorite discovered in the Trappes deposit, contains 22.33% Ga2O3 and up to 4.35% GeO2. Analyses show a very important substitution of Si by Ge inZoisite, allanite andtitanite (39.4 at.-% Ge). In the Trappes deposit, a Ba-rich phase having the composition of BaFe3 Ga(SiO4)(Si2O7)Cl, was identified.Briartite, Cu2(Fe, Zn)GeS4, is the only Ge-sulphide which is very rarely observed in deposits studied. Il appears that in low- to medium grade metamorphic conditions, germanium has a strong lithophile tendency.

Notes: Zusammenfassung Schumacherit kommt in Vergesellschaftung mit Pucherit krustenförmig auf quarzreichen Gangstufen von Schneeberg in Sachsen vor. Das Mineral bildet kleine, zum Teil nach (010) tafelige Kristalle von trikliner Symmetrie. Keine Spaltbarkeit, Bruch muschelig, Härte ca. 3,D x =6,90 g/cm3, Farbe gelb, Glanz mehr oder minder diamantartig; Brechungsindizes variabel,n γ(max.)=2,42, zweiachsig mit sehr großem 2V, wahrscheinlich positiv. Gitterkonstanten:a 0=10,05(3),b 0=7,46(3),c 0=6,90(3) Å, α=87,7(3)0, β=115,3(3)0, γ=111,5(3)0,Z=2, Raumgruppe $$P\bar 1$$ . Stärkste Linien des Pulverdiagramms: 4,57 (6) 110, $$\bar 201$$ ; 3,28 (10) $$\bar 221$$ , $$\bar 202$$ ; 3,19 (8) $$0\bar 21$$ , 111; 3,09 (8) 002, 210, $$2\bar 11$$ , $$\bar 112$$ ; 1,976 (5) $$3\bar 31$$ , $$0\bar 32$$ , $$\bar 512$$ , $$\bar 430$$ , $$\bar 4\bar 12$$ . Analysenergebnis: Bi2O3 79,0, V2O5 10,9, As2O5 5,8, P2O5 3,6, H2O 1,0% (ber.), Summe 100,3%. Dies führt zur Formel Bi3,03(V1,07As0,45P0,45)1,97H1,00O9,97 oder idealisiert Bi3O(OH) (VO4)2. Schumacherit ist das dem Preisingerit entsprechende Vanadatmineral. Beim Erhitzen auf höhere Temperaturen kommt es zu einem Umwandlungsvorgang, der sich in einer stärkeren Veränderung des Pulverdiagramms äußert.

Notes: Zusammenfassung Die Untersuchung eines Sedimentkerns aus dem nördlichen Teil des Attersees (Österreich) zeigt, daß die Schwermetalle Cd, Zn und Pb ab einer Sedimenttiefe von 20 cm (Sediment-Alter 1870–1880) nach oben hin±kontineuierlich ansteigen und ihre Maximalkonzentration in einer Sedimenttiefe von 6-4 cm (1960–1965) erreichen. Im Vergleich zu den unterhalb von 20 cm abgelagerten Sedimenten (die Schwermetallgehalte entsprechen dem “präzivilisatorischen Background”) sind die Schwermetallkonzentrationen in den obersten 5 cm des Kerns 5,6fach (Cd), 3,1fach (Zn) und 1,9fach (Pb) höher als Folge des Schwermetalleintrags aus häuslichen und ländlichen Abwässern sowie aus dem Eintrag von stark schwermetall-belastetem Flugstaub, der vor allem aus der Verbrennung von Steinkohle stammt. Die in den obersten Lagen des Attersee-Kernes gemessenen Konzentrationen an Cd, Zn und Pb liegen ähnlich hoch wie in Oberflächen-Sedimenten mehrerer anderer Seen Oberbayerns in Gebieten, deren Struktur mit dem Atterseegebiet vergleichbar ist. Der (insgesamt niedrige) Phosphatgehalt der Sedimente zeigt keine Abhängigkeit von der Tiefe und bestätigt den auch heute noch andauernden oligotrophen Zustand des Gewässers.

Notes: Summary This paper draws attention to the application of the Patterson transformation to the development of the self-images of the regular polygons in a plane. The self-image of the polygon is derived by squaring the sum of the letters representing the vertices. Each resulting two-letter product is treated as a beginning and the end of a vector. In the square matrix of these doublets there aren 2 terms. The main diagonal hasn doublets of the forma i a i which corresponds to the origin of the self-image. Then 2-n remaining terms are pairs of doubletsa i a j anda j a i ; these give the matrix and its Patterson self-image centrosymmetrical properties. The regular plane polygons fall into two categories:n even andn odd. Polygons withn even have self-images of themselves with certain vertices and edges in common. The self-images of the polygons withn odd are always composed of corners and edges which note are distinct.

Notes: Zusammenfassung Eine schichtgebundene Manganlagerstätte aus dem Jura der Nördlichen Kalkalpen wurde im Gebiet zwischen Golling und Abtenau (Salzburg) untersucht. Die Strubbergschichten (Doggertieferer Malm) bestehen überwiegend aus grauen bis schwarzen kieseligen Mergelschiefern. Grobe Mass Flow-Breccien bilden im zentralen Abschnitt des Untersuchungsgebietes einen kennzeichnenden Horizont. Die gesamte Abfolge erreicht eine Mächtigkeit bis zu etwa 200 m. Mergelschiefer mit geringen Mangangehalten (≤5 Gew.-% MnO) bestehen aus Calcisphärenführenden Wackestones und Packstones; bei den Mn-reichen Schiefern (〉5 Gew.-% MnO) handelt es sich um Mudstones. An Hand tonmineralogischer Untersuchungen kann gezeigt werden, daß die Gesteine eine niedrigstgradige (=anchizonale) Metamorphose erfahren haben. Die Manganmineralisation besteht überwiegend aus karbonatischen Mineralphasen. Es können zwei Hauptmineralvergesellschaftungen unterschieden werden: Eine Mn-arme Paragenese mit Mn-armem Calcit mit oder ohne Dolomit, und eine Mn-reiche Paragenese mit Mn-reichem Calcit, Kutnahorit und Ca-reichem Rhodochrosit. An sekundären Manganmineralen können Pyrolusit, Manganit und in geringen Mengen auch Birnessit und Todorokit nachgewiesen werden. Solche sekundären Minerale finden sich nur in Proben, in denen Rhodochrosit als einziges Karbonatmineral vorkommt. Der Mangangehalt der Mn-reichen Gesteinsgruppe hat zwischen 15 und 20 Gew.-% MnO ein Häufigkeitsmaximum. Das Mn/Fe-Verhältnis dieser Gruppe beträgt 2,3 und stimmt gut mit anderen verwandten Gesteinen aus den Nördlichen Kalkalpen und aus Ungarn überein. Diagenetische Erscheinungen sind vor allem in der Mn-armen Calcisphären-führenden Fazies zu beobachten; es kann eine diagenetische Mineralabfolge aufgestellt werden. Hinsichtlich der Genese wird folgende Modellvorstellung entwickelt: Das Ausgangssediment der Mn-reichen Gesteine war ein Radiolarien- und Spicula-führender mergeliger Schlamm, der reichlich organisches Material führte. Der Großteil der Kieselskelette wurde wahrscheinlich bereits in einem frühen Diagenesestadium gelöst. Unter reduzierenden und stark alkalischen Bedingungen wurde ein primäres Mangankarbonat mit mikrosphärolithischer Struktur ausgefällt. Als Manganquelle wird eine submarin vulkanogen-hydrothermale Tätigkeit angenommen. In den darauffolgenden diagenetischen Stadien hatte das primäre Karbonat Auflösungen und Neubildungen erfahren. So handelt es sich sehr wahrscheinlich bei Ca-reichem Rhodochrosit, Kutnahorit und Mn-reichem Calcit um Diageneseprodukte. Die zonargebauten Mn-hältigen Karbonatkristalle (Kern: Mn-reicher Calcit, Hülle: Ca-reicher Rhodochrosit) werden als Bildung der anchizonalen Metamorphose betrachtet.

Notes: Zusammenfassung Osumilithe aus 5 quartären Vulkanen der Eifel wurden untersucht. Sie kommen in kontaktmetamorph veränderten Nebengesteinseinschlüssen (Xenolithen) vor, und zwar meist in Drusenräumen als Abscheidung aus der Gasphase, in einem Fall auch als porphyroblastischer, intratellurisch gebildeter Gefügebestandteil des festen Gesteins. 6 von 7 analysierten Osumilithen zeigen M=Mg/(Mg+Fetot+Mn)-Werte zwischen 0,66 und 0,86, wobei der intratellurische Osumilith der Mg-reichste ist. Ein optisch negativer Osumilith mit kleineren Gitterkonstanten und dem M-Wert von 0,17 ist das bisher Fe-reichste Glied der Reihe, das auch außerdem den niedrigsten bisher bekannten Alkaligehalt aufweist. Alkali-Defizite in Osumilithen scheinen vorwiegend auf die Substitution □+Fe3+→(K,Na)++Fe2+ zurückzugehen. Ein Histogramm aller M-Werte von Osumilithen aus der Literatur zeigt praktisch eine durchgehende Mg−Fe-Mischreihe, in der intratellurische Osumilithe, besonders die bei hohem Druck gebildeten, immer sehr Mg-reiche Magnesio-Osumilithe sind, während alle Ferro-Osumilithe oberflächennahe Bildungen unter niedrigem Druck darstellen. Hieraus ist zu folgern, daß das PT-Stabilitätsfeld von Magnesio-Osumilith beträchtlich größer ist als dasjenige von Ferro-Osumilith, ähnlich wie dei der strukturell ähnlichen Reihe der Mg−Fe-Cordierite. Alkali-Defizite im Osumilith sind keinesfalls immer mit hohem Fetot-Gehalt verknüpft; sie kommen auch in Mg-reicheren Gliedern der Osumilithreihe vor, allerdings nie in intratellurisch, unter hohem Druck gebildetem Material. Wahrscheinlich sind die Alkali-Defizite Indikatoren für relativ hohe Sauerstoff-Fugazitäten, wie sie für das vulkanische Milieu der Eifel typisch und durch Begleitminerale wie Hämatit, Pseudobrookit und akmitische Pyroxene auch erwiesen sind.

Notes: Zusammenfassung Die frühalpine Metamorphose erreichte in den zentralalpinen Sedimenten des Brennermesozoikums Bedingungen der oberen Grünschieferfazies. Die Metamorphosetemperaturen wurden durchCc-Dol-Geothermometrie bestimmt. Im N des Brennermesozoikums herrschten während der frühalpinen Metamorphose Temperaturen um 450 °C, gegen S stieg die Temperatur auf ∼490 °C im Tribulaungebiet an. Der zur Zeit der Metamorphose herrschende Druck kann durch das Auftreten von Disthen mit mindestens 3,5–4 kb angenommen werden. Die Mineralparagenesen und Mineralchemismen sind stark von den Gesteinschemismen geprägt. In den pelitischen Gesteinen tritt als verbreitete ParagenesePh+Bi±Chl+Kf+Ab+Qz+ Turm±Ap±Erz, in den Mergeln die ParagenesePh+Phlog+Chl+Ep/Klz+Cc+Dol+Qz±Ab (Olig)±Ky±Tit±Tit±Turm±Ap±Erz auf. Innerhalb der einzelnen pelitischen und mergeligen Horizonte sind in gesamten Brennermesozoikum chemisch konstant zusammengesetzte Minerale anzutreffen, während sich die Minerale von Horizont zu Horizont deutlich unterscheiden. Ein signifikanter Unterschied ließ sich im Chemismus der detritischen und der metamorph gebildeten Minerale feststellen. Die alpidisch-metamorph gesproßten Muskovite weisen gegenüber den klastischen, voralpidischen Muskoviten höhere Phengitgehalte und abhängig davon niedrigere Paragonitgehalte auf.

Notes: Summary The reflectances of three uniaxial isotypic elements occurring as minerals, namely, arsenic (As), antimony (Sb), and bismuth (Bi) have been measured in air and in oil between 400 and 700 nm. Absorption coefficients, indices of refraction and absorption indices have been calculated with relatively small errors. It is found that the maximum absorption indices occur for vibrations parallel to the puckered sheets of the crystal structures, suggesting significant metallic bonding perpendicular to these sheets.

Notes: Summary Heulandite from Nadap (Hungary), characterized by an unusually high heat-induced contration of the cell was refined in its A and B phases. Phase A does not show any noteworthy differences in respect to the other refined heulandites. In phase B the shift of the CS2 cation site and of the O1 oxygen bonded to it, produces a strong rotation of the SBU around its baricentre and a pronounced zig-zag of the SBU chain. The O1 shift is strong enough to cause the statistical breaking of a T-O-T oxygen bridge with the migration of one of the two T atoms to a new tetrahedron, which shares three vertices with the previously occupied one. The fourth vertex is on the mirror plane and joins two SBUs of adjacent layers. The data of the refined heulandite-type minerals show that the O1 shift increases with the cation content of the CS2 site. In heulandites, where the CS2 site has a high occupancy of cations with high ionic potential, oxygen breaking occurs; in clinoptilolites, where the CS2 site has a low occupancy, the O1 shift is low and breaking of the oxygen bridge does not occur. As a consequence only heulandite shows a B phase which is stable over a long period of time.

Notes: Summary The crystal structure of green vesuvianite from Val d'Ala (Piemonte, Italy): Ca19Al4 (Al,Mg,Fe3+)8(Fe3+,Fe2+)(SiO4)10(Si2O7)4(OH,O)10,Z=2, ā=15.543(1),c=11.818(1) Å, has been refined in the space groupP4/n. The finalR was 0.034 for the 2858 observed reflections, and 0.059 for all 4197 unique reflections. The lowering of the symmetry from that usual in vesuvianites is due to the ordering of two atoms (Ca and Fe), which in the space groupP4/nnc are alternately and statistically located in two sites with multiplicities double the number of such atoms in the unit cell. The possible occurrence of vesuvianites withP4nc symmetry is also discussed, in reference to an attempt to refine the crystal structure of the yellow vesuvianite from Canzocoli (Predazzo, Italy).

Notes: Summary Olivines, amphiboles and micas from Punta delle Pietre Nere melasyenites and melagabbros have been analysed by electron microprobe. The analytical data integrated with those relative to the previous studied pyroxenes are here considered to draw some petrological inferences. The mineral compositions suggest that (i) the two subvolcanic bodies derived from diverse parental liquids, (ii) the magmas intruded at shallow depth as a mush of liquid plus crystals and (iii) the magmas crystallized under highf O 2 conditions. The mineral compositions reflect that of the liquids from which they crystallized as well as the order of mineral crystallization.

Notes: Summary Combined K−Ar and Rb−Sr data of different fine fractions (0.1–1.5; 1.5–3; 3–7 μm) have been obtained from horizons of the Calcareous Alps, Salzburg, Austria. Minerals presenting the fine fractions are more or less phengitic illite-muscovites, paragonite, mixed layers paragonite/muscovite, chlorite, calcite, dolomite, quartz and chloritoid. With the exception of the L. Paleozoic sample towards the finer fractions. illite-muscovites become more phengitic and mixed layer content paragonite/muscovite increases. Mineralogy and illite crystallinities indicate low grade to very low grade metamorphic conditions. SEM-photographs revealed angular-(1) and lobated type (2) illite-muscovite flakes in the fine fractions. K−Ar apparent ages range in the different fractions from 125 to 92 Ma and Rb−Sr model ages range from 135 to 94 Ma. The smallest fraction of the L. Paleozoic and a fraction from the Carnian limestone, consisting entirely of lobated (2) illite-muscovites, yielded lowest apparent K−Ar ages of 92 (94 Rb−Sr) and 96 Ma respectively. The probably flat thermal peak of the Early Alpine metamorphism had already been reached in the L. Cretaceous. The accumulation of the lobated type (2) illite-muscovite flakes along schistosity planes lead the author to the tentative conclusion that the youngest ages represent the end of mineral recrystallization caused by a combination of penetrative deformation and decreasing metamorphic temperatures. Mineralogical and geochronological data allow one to estimate the temperature of the Early Alpine metamorphism in this area in the range of 250–300° (max. 350°)C.

Notes: Summary In the present study inhomogeneous, partly uraniferous leucoxene/rutile aggregates and brannerite grains from the Elliot Lake area, Canada, and the Pongola basin, South Africa, were identified by ore microscopy. This observation accords with the fact that U−Ti phases are second only to uraninite as the most important uranium minerals in Precambrian conglomerates. The observed U−Ti phases, however, are somewhat indefinitive. They often merge into each other and represent authigenic constituents pseudomorphous after detrital titanium minerals. Microprobe work has confirmed the existence of a continuous mineral series recognized optically which ranges from uranium-free leucoxene/rutile to uranium-enriched brannerite. However, the presence of metamict brannerite can only be verified by X-ray diffraction after prolonged heating, a process which may synthesize the latter mineral. The actual occurrence of brannerite in Precambrian conglomerates must, therefore, be regarded with reservation and it is suggested that redistribution and subsequent adsorption of uranium on Ti phases during diagenesis and/or metamorphism of the conglomerates did not lead to the formation of authigenic brannerite, but rather resulted in microcrystalline leucoxene/rutile admixtures containing uranium in varying amounts.

Notes: Summary Single crystals of kyanite (Otavi-Mine, South Africa) were heated gradually up to 1500°C and investigated at room temperature by means of optical microscopy, SEM and X-ray methods. The aim of the present paper is to look for preferred orientations of precipitated mullite that possibly occur during the thermal treatment. This may give insights in the decomposition mechanism. The decomposition of kyanite proved to be strongly dependent on the furnace atmosphere. In alkali-free atmosphere mullite and vitreous silica develop with a distinct texture of mullite with six orientations that can be explained by common [A1O6]octahedra of kyanite and mullite. Lattice constants measurements suggest the composition 3 Al2O3·2 SiO2 (3∶2-mullite) for the precipitated mullite. In the presence of Na-ions corundum appears together with a series of transition phases similar to δ-,γ- and ϑ-Al2O3 with rather good orientations. Occasionally oriented cristobalite occurs. All these orientations are interpreted as due to the pseudo-cubic oxygen packing of the kyanite structure. At 1500°C all transition phases disappear and only corundum and secondary formed mullite with preferred orientations are present.

Notes: Summary Imagination can be seen 1) as a mental faculty common to all people to some degree and 2) as an important principle in literary theory. We must think of imagination not as a simple power but a complex series of processes, involving the impression-idea-relationship and memory. The data derived thus are still bound to their epistemological context, and only imagination provides the possibility to transcend the space-time-determination and the cause-effect-relationship, so that it allows a freer display of the sense-data. This structural and functional analysis of imagination tries to show its immense importance in everyday-life as well as in literary production and reception.

Notes: Zusammenfassung Es werden die Veränderungen der Wissenschaftssprache der Physik untersucht, die durch den Übergang von der klassisch-relativistischen Physik zur Quantenphysik erfolgt sind. Die neuen und prinzipiellen Beschränkungen der Möglichkeiten der Überprüfung wissenschaftlicher Aussagen führen zu Reduktionen der hypothetischen Annahmen, die der Sprache der klassischen Physik zu Grunde liegen. Diese Reduktionen haben ihrerseits Abschwächungen der syntaktischen Strukturen zur Folge, die besonders in der formalen Logik und der Modallogik deutlich werden. Diese auf (gegenüber der klassisch-physikalischen Sprache) schwächeren Prämissen basierenden Strukturen sind die Quanten-Logik und die Quanten-Modallogik, die damit auch einen weiteren Geltungsbereich besitzen als die entsprechenden klassischen formalen Systeme.

Notes: Summary As a logical consequence of recent developments in the philosophy of science the concept of rationality has lost much of its impact. It seems that the rationality of methodological decisions in science can be defined no longer in an absolute sense but only in relation to a given context and in hindsight. This failure of methodology in assessing once and for all the rights and wrongs of scientific decisions is taken as a clue for reanalyzing the strategical intervention-points of methodological norms. It is shown that relativism and irrationalism are to be avoided by not cutting the process of scientific investigation into intrinsically different portions: context of justification and context of discovery. This dichotomy opens a logical and psychological gap between different stages of scientific evolution that the idea of comparing factual contents or degrees of justification is no longer able to bridge. In two case studies, the development of modern science in the 16th and 17th centuries and the development of special and general realtivity it is shown that the dichotomy is inherently implausibel. But if it is possible to analyze the context of justification (criticism) and the context of discovery in same terms, the logical (and psychological) chain of reasoning is closed. This problem-shift defies both irrationalism and relativism and leads to a different view of scientific progress as an increase of information-processing capacity that can be measured by a certain set of indicators radically different from the received one.

Notes: Zusammenfassung In Sachen Funktionalanalyse befaßte man sich in der allgemeinen Wissenschaftstheorie anfänglich überwiegend mit der Logik funktionaler Erklärungen. Diese bedarf einer Ergänzung durch eine Semantik der Funktionalanalyse. Nach einer einleitenden Erörterung einiger Schwachpunkte und Grenzen der klassischen Literatur zur Logik der Funktionalanalyse wird eine Wortfeldanalyse von ‘Funktion’ und ‘System’ sowie eine phänomenologische Beschreibung der Wirkungsweise von Motiven angeboten. Im Unterschied zu Zielen, die man nur Entitäten zuschreibt, die als selbständig angesehen werden, spricht man (in nichtmetaphorischer Weise) Funktionen nur Entitäten zu, die als nichtselbständig angesehen werden, die jedoch mit ihrer Funktion bezogen sind auf eine solche zielorientierte selbständige Entität.

Notes: Summary Attempts to justify statements or norms lead into the well-known trilemma infinite regress, circular reasoning, dogmatism. Apel's transformed transcendental philosophy is to avoid this problem. A recent version of it is examined. It admits fallibilism to be valid with empirical hypotheses but claims it to be contradictory if applied to philosophical theses on conditions of the possibility of knowledge and argumentation. This claim is refuted. The proposed “final justification” is to start not with what is certain but with doubt. Reflection on the conditions of the possibility of meaningful doubting is to show a borderline beyond which undoubtable certainties are to be found. Such certainties are the rules of argumentation. Whoever utters “The rules of argumentation are not valid in my case” is said to make a necessarily false statement. This line of argument is even carried over to the justification of absolutely binding metanorms of a normative ethics of communication. The whole procedure of “final justification” is shown to be faulty.

Notes: Summary A successor relation between theories T und T1 expresses that T1, the successor of T, has justifiably superseded T. In physics, for instance, Newton's theory of gravitation has superseded Kepler's laws and, in turn, Einstein's theory has become the successor of Newton's. By now there is no agreement on how a general concept of successor relation would have to be construed. In the present paper attention is drawn to two types of such relations, one deductive the other confirmatory. It seems that what most people are looking for is the deductive type of relation. However, a deductive successor relation has to be justified by showing that if it holds then another, confirmatory relation holds, saying roughly that the actual empirical success of the deducing theory is at least as good as the corresponding success of the deduced theory. Under certain restrictions such a justification is given in the paper.

Notes: Summary This article proceeds on two main assumptions. (1) The ‘understanding’ of universes of discourse and human practice can no longer be based on the rules developed by older systems of hermeneutics. (2) Modern hermeneutics has not tried to compensate this loss of methodological efficiency by working out new frameworks. It is rather exclusively occupied with (metatheoretical) efforts to provide ‘foundations’. Thus we get ontological, dialectical, transcendental etc. systems. These may serve as general possibilities for looking at history. They do not, however, advance the solution of the manifold methodological difficulties of concrete research. A functional analysis of fundamentalist hermeneutics can demonstrate more precisely that this type of theory has largely proved fruitless. Certainly we cannot do without fundamentalist concepts like historicity, tradition, consciousness or, for that matter, emancipation. It is equally clear, however, that these concepts cannot merely be defined along the lines prescribed by philosophies of science. The present article therefore pleads for an anthropological extension and specification of ‘hermeneutic’ (?) frameworks which should allow us to analyse historical life forms, ways of experience, strategies of meaning formation in a more precise and differentiated manner.

Notes: Summary Our examination of the controversy surrounding the intentionalist conception of textual interpretation shows that the critics of this approach to questions of meaning and interpretation have so far failed to prove their case. The standard objections to intentionalism, on grounds of logical or empirical fallacy, cannot be maintained. We reconstruct the objections which have been raised in the literature against the intentional conception and discuss them as criticism of a conception hold to be inadequate with respect to the problem of literary interpretation. In our evaluation of the intentional conception we conclude that it represents a perfectly ‘normal’ conception of meaning and interpretation, of a kind by no means inferior to other approaches adopted by the various disciplines concerned with interpreting texts.

Notes: Summary The first aim of this article is to show the necessity of approaching differently the question of the origin of the hypothesis as pertaining to a purely deductive science or to an experimental one, such as biology. The paper also analyzes the rôle played by the hypothesis in: 1) the formation of definitions; 2) the establishment of laws; 3) explanations. It shows that in 1) and 2) the hypothetical character is relevant both to the amplifying induction and to the still incomplete state of our biological knowledge. Finally, it distinguishes between the two different processes used in the hypothetico-deduction depending on the possibility — or impossiblity — to link the phenomena to be explained to some known principles.

Notes: Summary The formulae advanced by Popper to calculate the degree of corroboration C(h, e) of a scientific hypothesis are unsatisfactory in that the probability values required in the computation are often not available. An attempt is made to define a quantitative measure B* in the place of C(h, e) in which only countable empirical values would be used. This condition is fulfilled in two basic formulae (eq. (5) and eq. (17)), which could be applied to calculate the (logical) degree of corroboration. When m successful falsifications of the hypothesis h appear after a sequence of n unsuccessful ones, the pragmatic degree of corroboration B* results from the difference between B(h, e) and the analogue value of the falsification F*(h, ej) (eq. (12) and eq. (20)). In the event that the hypothesis can be „rescued“ through a correction, increased experimental effort must be made with the revision. This would be taken into account through the correction equation (eq. (14)). When the hypothesis cannot be corrected, however, it can no longer exceed the value of 1-F*(h, ej), even after numerous verification experiments. In the process of deciding whether a hypothesis is „adequately“ verified or falsified, a lower threshold Bu und Bo must be selected. These values have to be chosen on an intuitive subjective basis. The same applies to thestrength of unsuccessful falsifications („strong“, „less strong“). This evaluation is expressed by a multiplicative constanta (eq. (6)) or an additive constant ka in eq. (18). Despite the subjectivity of the valuesa, ka necessary for the calculation of B*, and of the values Bu, Bo for the decision to discontiue the examination of the hypothesis, I feel that amongst the scientists within a particular field of research, a consensus for these values should be possible. Through a quantitative determination of B* the procedure for testing a hypothesis,considered to be a closed loop process, becomes clearer. To estimate the values of B* could not only have an influence upon the decisions of the respective researchers or research groups examining a hypothesis, but also be of assistance in decisions regarding research grants when financial resources are limited.

Notes: Summary This essay ist based on Heinrich Rombach's conception of structural phenomenology, a conception not yet widely known in philosophy and not at all known in sociology. The implications for the social sciences of this conception are explicated, related to the well-known positions of Max Weber, Alfred Schütz, Thomas S. Kuhn, and then linked to the current methodological discussion in the field of sociology in West Germany. The resulting promising new possibilities for basic questions of theory construction in the social sciences, but especially in sociology, are detailed and clarified with respect to the possibility and necessity of the various movements and conceptions of plurality, perspectivity and consciousness of cognition levels.

Notes: Zusammenfassung Das provokative und vielgelobte Buch Rorty's, des inzwischen international bekannten Ordinarius aus Princeton, stellt das gesamte Unternehmen der abendländischen Philosophie in Frage. Zentrales Thema vonPhilosophy and the Mirror of Nature sind Krise und Niedergang der analytischen Philosophy, wie wir sie seit Descartes, Locke und Kant kennen. Während Descartes und Locke die Seele (mind) als Auge modellierten, das die äußere Welt als inneres Bild wahrnimmt und vermittelt, verfeinerte Kant diese okulare Metapher durch Einführung des transzendentalen Subjekts. Gleichzeitig gab Kant der professionalen Philosophie die Aufgabe, über die Legitimität intellektueller Anstrengungen zurichten. Legitimität aber kann nur gegründet sein in objektiven Kriterien und Regeln darüber, welche Repräsentationen der Welt als die wahren anzuerkennen sind. Nach Rorty führt dieser Ansatz die Philosophie unabdingbar auf den verhängnisvollen Weg der Reduktion auf Epistemologie. Die damit auftretenden erkenntnistheoretischen Probleme gilt es jedoch nicht zulösen, sondernaufzulösen, zum Verschwinden zu bringen. Eine Besserung für die Sache der Philosophie sei zu erhoffen nur von einer historischen Kehrtwende zur Geschichte als Therapie. An dieser Stelle werden Wittgenstein, Heidegger und Dewey als Neuerer einer hermeneutisch orientierten philosophischen Pragmatik vorgestellt. Das Buch endet mit einer Skizze, wie das Unternehmen Philosophie in Zukunft menschlicher, dilettantischer, sozialer und damit insgesamt relevanter gestaltet werden kann. — Nicht so sehr Rorty's Verdikt über die Fruchtlosigkeit der analytischen Tradition — daß weite Teile der analytischen Philosophy in Sophisterei und Langeweile ausgeartet sind, ist bekannt — als vielmehr Rorty's Methode soll hier untersucht werden, sein Stil, seine professionellen Argumente als Beispiel einer ebenso zeitlosen wie vielgesichtigen Vorgehensweise in der abendländischen Philosophie, die Rorty neu orientieren will: Philosophie, der der Atem ausgeht über der Arbeit am Begriff, hat die Tendenz, eine Atempause in der Historie zu suchen oder das Philosophieren durch metaphilosophische Prolegomena zu einer zukünftigen neuen Metaphysik zu ersetzen. Rorty liefert beides: Kritik der Tradition und Versprechen einer besseren Zukunft. Allerdings sind seine de-konstruktiven Partien der professionellen Auseinandersetzung mit der analytischen Nachfolge Kants ungleich brillanter als sein Plädoyer für eine Symbiose von Gedanken des humanistischen neunzehnten Jahrhunderts mit Sokratischer Polypragmatik und Wittgensteinschen Therapien. Rosina: You are always insulting our poor century. Dr. Bartolo: I beg your pardon! But what has it produced that it should be praised? Stupidities of all sorts: Liberty of Thought, Sexual Attraction, Electricity, Magnetism, Tolerance, Vaccination, Quinine, Epistemology ...1 (The Barber of Seville, by P. de Beaumarchais, 1732–99)

Notes: Summary The author takes the interdisciplinary seminar on Evolutionary Epistemology at the 7th International Wittgenstein Symposium as the occasion to discuss the question of the status, achievements and limits of Evolutionary Epistemology. She comes to the conclusion that neither its critique of thequid juris question in traditional epistemology nor its own philosophical pretensions can be justified. But it is a new science which is relevant and a challenge to traditional epistemology and philosophy of science in that it opens up a horizon of new questions which they will have to take seriously. Sie sind den Kindern ähnlich, die, wenn sie in einen Spiegel geguckt, ihn sogleich umwenden, um zu sehen, was auf der anderen Seite ist. Johann Wolfgang von Goethe Es gab Ewigkeiten, in denen (der menschliche Intellekt) nicht war; ... nur sein Besitzer und Erzeuger nimmt ihn so pathetisch, als ob die Angeln der Welt sich in ihm drehten. Könnten wir uns aber mit der Mücke verständigen, so würden wir vernehmen, daß auch sie mit diesem Pathos durch die Luft schwimmt und in sich das fliegende Zentrum dieser Welt fühlt. Es ist nichts so verwerflich und gering in der Natur, was nicht durch einen kleinen Anhauch jener Kraft des Erkennens sofort wie ein Schlauch aufgeschwellt würde; und wie jeder Lastträger seinen Bewunderer haben will, so meint gar der stolzeste Mensch, der Philosoph, von allen Seiten die Augen des Weltalls teleskopisch auf sein Handeln und Denken gerichtet zu sehen. Friedrich Nietzsche