Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

Volume 51| Part 5

ISSN: 2052-5206

October 1995 issue

Highlighted illustration

Cover illustration: The electrostatic potential and deformation density of the benzene ring. Courtesy of J. R. Ruble and A. Galvao.

topical reviews

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Semi-empirical groundwork of the bond-valence model

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research papers

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Computational studies of crystalline H₃PO₄

G. R. Moss, M. Souhassou, R. H. Blessing, E. Espinosa and C. Lecomte

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Experimental electron density in crystalline H₃PO₄

M. Souhassou, E. Espinosa, C. Lecomte and R. H. Blessing

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Crystal structure of the antiferroelectric perovskite Pb₂MgWO₆

G. Baldinozzi, Ph. Sciau, M. Pinot and D. Grebille

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Structure of Na₃YSi₆O₁₅ – a unique silicate based on discrete Si₆O₁₅ units, and a possible fast-ion conductor

S. M. Haile, J. Maier, B. J. Wuensch and R. A. Laudise

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Structure of Cs₃(HSO₄)₂(H₂PO₄) – a new compound with a superprotonic phase transition

S. M. Haile, K.-D. Kreuer and J. Maier

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The structure refinement of compositely modulated Nb₂Zr_x−2O_2x+1 (x = 12)

K. Fütterer, S. Schmid, J. G. Thompson, R. L. Withers, N. Ishizawa and S. Kishimoto

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Structures of Ta₂₂W₄O₆₇ and Ta₇₄W₆O₂₀₃.I. Refined structural models using synchrotron radiation

S. Schmid, J. G. Thompson, A. D. Rae, B. D. Butler, R. L. Withers, N. Ishizawa and S. Kishimoto

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Structures of Ta₂₂W₄O₆₇ and Ta₇₄W₆O₂₀₃. II. A composite modulated structure approach to the (1–x)Ta₂O₅.xWO₃, 0 ≤ x ≤ 0.267, solid solution

A. D. Rae, S. Schmid, J. G. Thompson, R. L. Withers and N. Ishizawa

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Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields

T. Pilati, F. Demartin and C. M. Gramaccioli

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Single-crystal pulsed neutron diffraction of a highly hydrous beryl

G. Artioli, R. Rinaldi, C. C. Wilson and P. F. Zanazzi

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Site preference of cations and structural variation in Y₃Fe_5−xGa_xO₁₂ (0 ≤ x ≤ 5) solid solutions with garnet structure

A. Nakatsuka, A. Yoshiasa and S. Takeno

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A composite modulated structure refinement of Zr₉(N,O,F)₂₀

S. Schmid and R. L. Withers

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Isosymmetric structural phase transitions: phenomenology and examples

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Structures containing shift-lattice distributed planar faults

R. J. D. Tilley and R. P. Williams

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The low-temperature phase transition sequence of the halide perovskite tetramethylammonium trichlorogermanate(II) and the structure of its incommensurately modulated δ-phase

K. Fütterer, W. Depmeier and V. Petříček

CCDC references: 1272243; 1272247

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Determination of the incommensurately modulated structure of (perylene)Co(mnt)₂(CH₂Cl₂)_0.5 by direct methods

E. J. W. Lam, P. T. Beurskens, J. M. M. Smits, S. van Smaalen, J. L. de Boer and H.-F. Fan

CCDC reference: 131519

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Anion disorder in the 115–118 K structures of the organic superconductors κ_L-(BEDT-TTF)₂Cu(CF₃)₄(C₂H₃Cl₃) and κ_L-(BEDT-TTF)₂Ag(CF₃)₄(C₂H₃Cl₃) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene]

U. Geiser, J. A. Schlueter, J. M. Williams, D. Naumann and T. Roy

CCDC references: 131523; 131524

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Analysis of the diffraction pattern of a twinned crystal of (3,4;3',4'-bis(ethylenedioxo)-2,2',5,5'-tetrathiafulvalene)₂.Ag(CN)₂

R. Li, V. Petříček, I. Cisarova and P. Coppens

CCDC reference: 131500

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Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents

X. Sui and P. W. Codding

CCDC references: 131504; 131505; 131506

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Tetramethylpyrazinium polyiodides

R. D. Bailey and W. T. Pennington

CCDC references: 131501; 131502; 131503

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On the differences between X-ray and neutron thermal vibration parameters

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Molecular conformations and crystal packing properties of five 4-alkyl-N-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length

B. M. Sheikh-Ali, M. Rapta, G. B. Jameson and R. G. Weiss

CCDC references: 131509; 131510; 131511; 131512; 131513

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Electrostatic potentials from charge-density studies of benzamide at 123 K

J. R. Ruble and A. Galvao

CCDC reference: 131499

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Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation

M. Tazi, J. Meinnel, M. Sanquer, M. Nusimovici, F. Tonnard and R. Carrie

CCDC references: 131520; 131521

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Conformation of the two potential antipsychotic agents (–)-(S)-3-bromo-5,6-dimethoxy-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463

B. Stensland, I. Csöregh and T. Högberg

CCDC references: 131497; 131498

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Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-N-methylsuccinimide

F. Toda, K. Tanaka, Z. Stein and I. Goldberg

CCDC references: 131515; 131516; 131517

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Structure of 5-(3,4,5-trimethoxyphenyl)-2-iodomethyltetrahydrofuran: a precursor of acetylcholinesterase inhibitors with platelet-activating factor antagonistic activity

L. Le Texier, E. Favre, J.-J. Godfroid and S. Halut-Desportes

CCDC reference: 131508

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Structure of (Z,Z)-N-{[2-(4-methylphenyl)-2-(4-methylphenyl)imino]ethylidene}aniline N-oxide: conjugation in systems with the nitrone moiety

P. K. Olszewski, P. Milart and K. Stadnicka

CCDC reference: 131522

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High-pressure X-ray diffraction study of pentaerythritol

CCDC reference: 131518

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Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone

F. J. Zúñiga and A. Criado

CCDC reference: 131514

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Crystal structures and photochemistry of triphenylphosphine oxide complexes of ethyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate

R. Jones, Z. Liu, J. R. Scheffer and J. Trotter

CCDC references: 131525; 131526

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short communications

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Experimental and theoretical determination of electronic properties in L-dopa. Erratum

S. T. Howard, M. B. Hursthouse, C. W. Lehmann and E. A. Poyner

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book reviews

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Highlights of chemistry as mirrored in Helvetica Chimica Acta edited by M. V. Kisakurek and E. Heilbronner

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Modern crystallography. Vol. 2. Structure of crystals edited by B. K. Vainshtein, V. M. Fridkin and V. L. Indenbom

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Structure correlation edited by J. D. Dunitz and H. B. Bürgi

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books received

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DNA structure and recognition by S. Neidle

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Modulated structures

The theory of modulated structures and the study of such materials constitute an active and healthy field in crystallography. To view visualizations of over 60 modulated stuctures published in Acta Crystallographica Section B, click on the structure below.

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