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 The chief aim of the paper is to extend the calculusDSC 1 (see [4]) in such a way as to satisfy all the requirements listed in [4] as well as a further stipulation — called ‘the principle of uninvolvement’ — to the effect that neither deontic compatibility nor deontic incompatibility of codes (see [2]) should be presupposed in deontic logic.

Notes: Abstract Two subject-predicate calculi with equality,SP = and its extensionUSP′ =, are presented as systems of natural deduction. Both the calculi are systems of free logic. Their presentation is preceded by an intuitive motivation. It is shown that Aristotle's syllogistics without the laws of identitySaP andSiP is definable withinSP =, and that the first-order predicate logic is definable withinUSP′ =.

Notes: Abstract This paper discusses refinements of the natural ordering of them-degrees (1-degrees) of strong recursive reducibility classes. Such refinements are obtained by posing complexity conditions on the reduction function. The discussion uses the axiomatic complexity theory and is hence very general. As the main result it is proved that if the complexity measure is required to be linearly bounded (and space-like), then a natural class of refinements forms a lattice with respect to a natural ordering upon them.

Notes: Abstract We discuss an abstract notion of a logical operation and corresponding logics. It is shown that if all the logical operations considered are implicitely definable in a logic ℒ*, then the same holds also for the logic obtained from these operations. As an application we show that certain iterated forms of infinitely deep languages are implicitely definable in game quantifier languages. We consider also relations between structures and show that Karttunen's characterization of elementary equivalence for the ordinary infinitely deep languages can be generalized to hold for the iterated infinitely deep languages. An early version of this work was presented in the Abstracts Section of ICM '78.

Notes: Abstract A system of natural deduction is presented whose set of theses is identical with that of the systemE of entailment. For that system a decision procedure is described proving the decidability ofE.

Notes: Abstract This paper deals with the system of modal logicGL, in particular with a formulation of it in terms of sequents. We prove some proof theoretical properties ofGL that allow to get the cut-elimination theorem according to Gentzen's procedure, that is, by double induction on grade and rank.

Notes: Abstract We give completeness results — with respect to Kripke's semantic — for the negation-free intermediate predicate calculi: (1) $$\begin{gathered} BD = positive predicate calculus PQ + B:(\alpha \to \beta )v(\beta \to \alpha ) \hfill \\ + D:\forall x\left( {a\left( x \right)v\beta } \right) \to \forall xav\beta \hfill \\ \end{gathered}$$ (2) $$T_n D = PQ + T_n :\left( {a_0 \to a_1 } \right)v \ldots v\left( {a_n \to a_{n + 1} } \right) + D\left( {n \geqslant 0} \right)$$ and the superintuitionistic predicate calculus: (3) $$B^1 DH_2^ \urcorner = BD + intuitionistic negation + H_2^ \urcorner : \urcorner \forall xa \to \exists x \urcorner a.$$ The central point is the completeness proof for (1), which is obtained modifying Klemke's construction [3]. For a general account on negation-free intermediate predicate calculi — see Casari-Minari [1]; for an algebraic treatment of some superintuitionistic predicate calculi involving schemasB andD — see Horn [4] and Görnemann [2].

Notes: Abstract The approach adopted in the paper is based on the theory known as Montague grammar. Accepting, in general, that theory — especially in its modified version, which is due to Thomason and Kaplan — the author points out certain inadequacy in its treatment of the meaning of some indexical expressions and suggests some modification of its theoretical framework in order to avoid that shortcoming. It is claimed that to do justice to the meaning of so-called indefinite indexicals (such as “we”, “you”, “now”) two kinds of dependence of their semantic values upon the context of use must be taken into account — a semantic (or lexical) and a pragmatic (or extralexical) one.

Notes: Abstract In this paper we give the gist of our reconstructed notion of (limiting case) correspondence. Our notion is very general, so that it should be applicable to all the cases in which a correspondence has been said to exist in actual science.

Notes: Abstract The paper discusses eliminative explanation in which a (social) successor theory correctively explains and, as a consequence, eliminates its predecessor theory. Technical concepts and results from general logic are applied to the explication of corrective explanation, especially to the notion of framework translation that it involves.

Notes: Abstract We find a short way to construct a formula which axiomatizes a given finite frame of the modal logicK, in the sense that for each finite frameA, we construct a formula ωA which holds in those and only those frames in which every formula true inA holds. To obtain this result we find, for each finite model $$\mathfrak{A}$$ and each natural numbern, a formula ω $$\mathfrak{A}$$ which holds in those and only those models in which every formula true in $$\mathfrak{A}$$ , and involving the firstn propositional letters, holds.

Notes: Abstract Gaisi Takeuti has recently proposed a new operation on orthomodular latticesL, $$\begin{array}{*{20}c} \parallel \\ \_ \\ \end{array} $$ :P(L)»L. The properties of $$\begin{array}{*{20}c} \parallel \\ \_ \\ \end{array} $$ suggest that the value of $$\begin{array}{*{20}c} \parallel \\ \_ \\ \end{array} $$ (A) (A) $$ \subseteq $$ L) corresponds to the degree in which the elements ofA behave classically. To make this idea precise, we investigate the connection between structural properties of orthomodular latticesL and the existence of two-valued homomorphisms onL.

Notes: Abstract The aim of this paper is to present a modified version of the notion of strong proof from hypotheses (definition D2), and to give three deduction theorems for the relevant logicsR (theoremsT1, andT2) andE (theoremT3).

Notes: Abstract In this paper we start an investigation of a logic called the logic of algebraic rules. The relation of derivability of this logic is defined on universal closures of special disjunctions of equations extending the relation of derivability of the usual equational logic. The paper contains some simple theorems and examples given in justification for the introduction of our logic. A number of open questions is posed.

Notes: Abstract Exact philosophy consists of various disciplines scattered and separated. Formal semantics and philosophy of science are good examples of two such disciplines. The aim of this paper is to show that there is possible to find some integrating bridge topics between the two fields, and to show how insights from the one are illuminating and suggestive in the other.

Notes: Abstract In this paper a propositional logic of viewpoints is presented. The language of this logic consists of the usual modal operatorsL (of necessity) andM (of possibility) as well as of two new operatorsA andR. The intuitive interpretations ofA andR are “from all viewpoints” and “from some viewpoint”, respectively. Semantically the language is interpreted by using Kripke models augmented with sets of “viewpoints” and with a new alternativeness relation for the operatorA. Truth values of formulas are evaluated with respect to a world and a viewpoint. Various axiomatizations of the logic of viewpoints are presented and proved complete. Finally, some applications are given.

Notes: Abstract We prove that each proper ideal in the lattice of axiomatic, resp. standard strengthenings of the intuitionistic propositional logic is of cardinality 2ℵ0. But, each proper ideal in the lattice of structural strengthenings of the intuitionistic propositional logic is of cardinality 22ℵ0. As a corollary we have that each of these three lattices has no atoms.

Notes: Abstract In the paper I investigate aspects of adverbial modification as an operation applying an adverb or adverbial phrase to a predicate and thereby creating a new predicate. The logic of adverbial modification, on this view, belongs to the logic of predicate modifiers. The theory I present is intended to cover not only adverbial modification but also attributive modification, but problems concerning the latter will not be given any special attention.

Notes: Abstract LetEO be the elementary ontology of Leśniewski formalized as in Iwanuś [1], and letLS be the monadic second-order calculus of predicates. In this paper we give an example of a recursive function ϕ, defined on the formulas of the language ofEO with values in the set of formulas of the language of LS, such that ⊢ EO A iff ⊢ LS ϕ(A) for each formulaA.

Notes: Abstract We define a subhierarchy of the infinitely deep languagesN ℵλ described by Jaakko Hintikka and Veikko Rantala. We shall show that some model theoretic results well-known in the model theory of the ordinary infinitary languages ℒℵλ can be generalized for these new languages. Among these are the downward Löwenheim-Skolem and Łoś's theorems as well as some compactness properties.

Notes: Abstract This paper deals with Boolean algebras supplied with an additional binary operation, calledB-algebras for short. The aim of the paper is to generalize some theorems concerning topological Boolean algebras to more comprehensive classes ofB-algebras, to formulate fundamental properties ofB-algebras, and to find more important relationships of these algebras to other known algebras. The paper consists of two parts. At the beginning of the first one, several subclasses ofB-algebras are distinguished, and then, their basic properties, connections between them as well as certain relationships with other algebras, are investigated. In particular, it is shown that the class of Boolean algebras together with an arbitrary unary operation is polynomially equivalent to the class ofB 1-algebras. The second part of the paper is concerned with the theory of filters and congruences inB-algebras.

Notes: Abstract The classesMatr( $$ \subseteq $$ ) of all matrices (models) for structural finitistic entailments $$ \subseteq $$ are investigated. The purpose of the paper is to prove three theorems: Theorem I.7, being the counterpart of the main theorem from Czelakowski [3], and Theorems II.2 and III.2 being the entailment counterparts of Bloom's results [1]. Theorem I.7 states that if a classK of matrices is adequate for $$ \subseteq $$ , thenMatr( $$ \subseteq $$ ) is the least class of matrices containingK and closed under the formation of ultraproducts, submatrices, strict homomorphisms and strict homomorphic pre-images. Theorem II.2 in Section II gives sufficient and necessary conditions for a structural entailment to be finitistic. Section III contains theorems which characterize finitely based entailments.

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.