Contents
Crystallography Reports

Vol. 57, No. 1, 2012

A simultaneous English language translation of this journal is available from Pleiades Publishing, Inc.
Distributed worldwide by Springer. Crystallography Reports ISSN 1063-7745.

Theory of Crystal Structures

Nanoclusters Based on Pentagondodecahedra with Shells in the Form of D32,
D42, and D50 Deltahedra in Crystal Structures of Intermetallic Compounds

A. A. Pankova, G. D. Ilyushin, and V. A. Blatov p. 1  abstract

Algorithmic Crystal Chemistry: A Cellular Automata Approach

S. V. Krivovichev p. 10  abstract

Diffraction and Scattering of Ionizing Radiations

Effect of Strain in Crystal on the Forbidden Reflections in the Resonant
Diffraction of Synchrotron Radiation

G. T. Mulyavko, E. N. Ovchinnikova, A. P. Oreshko,
V. E. Dmitrienko, and E. Kh. Mukhamedzhanov p. 18  abstract

Effect of the Ultrasonic Frequency on the Multiple X-Ray Scattering
from a LiNbO₃ Crystal Modulated by a Surface Acoustic Wave

V. I. Punegov and D. V. Roshchupkin p. 24  abstract

Crystal Chemistry

New Criterion for Conformational Polymorphism

V. N. Serezhkin and L. B. Serezhkina p. 33  abstract

Structure of Inorganic Compounds

Crystal Structure of the NaCa(Fe²⁺, Al, Mn)₅[Si₈O₁₉(OH)](OH)₇ · 5H₂O Mineral:
A New Representative of the Palygorskite Group

R. K. Rastsvetaeva, S. M. Aksenov, and I. A. Verin p. 43  abstract

Crystal-Structure Refinement of Sr₃Ga₂Ge₄O₁₄

A. P. Dudka and B. V. Mill p. 49  abstract

Refinement of the Crystal Structures of Synthetic Nickel- and Cobalt-Bearing Tourmalines

I. V. Rozhdestvenskaya, T. V. Setkova, O. S. Vereshchagin,
A. G. Shtukenberg, and Yu. B. Shapovalov p. 57  abstract

Structures and Properties of Layered Barium Borates Ba_0.975[B₆O₉(OH)(O_0.975Br_0.025) · B₂O(OH)₃],
Ba₂[B₅O₈(OH)₂](OH), Na₂Ba₂[B₂₀O₃₄(OH)₄], and Ba₅[B₂₀O₃₃(OH)₄]H₂O

E. L. Belokoneva, O. V. Dimitrova, and S. Yu. Stefanovich p. 64  abstract

Nanostructured Crystals of Fluorite Phases Sr_1–xR_xF_2+x and Their Ordering:
7. A Procedure for Cluster Modeling of Sr_1–xR_xF_2+x Based on the Structure
of an Ordered Phase (R = Lu)

E. A. Sul’yanova, I. A. Verin, and B. P. Sobolev p. 73  abstract

Structure of Organic Compounds

Molecular Structures and Crystal Packings of 2-Styrylquinoxaline Derivatives

L. G. Kuz’mina, A. G. Sitin, E. N. Gulakova, O. A. Fedorova,
E. Kh. Lermontova, and A. V. Churakov p.85  abstract

Structure of Macromolecular Compounds

Three-Dimensional Structure of Phosphopantetheine Adenylyltransferase
from Mycobacterium Tuberculosis in the Apo Form and in Complexes
with Coenzyme A and Dephosphocoenzyme A

V. I. Timofeev, E. A. Smirnova, L. A. Chupova,
R. S. Esipov, and I. P. Kuranova p. 96  abstract

Real Structure of Crystals

Morphological Diagram of Savart–Masson Bands of Macrolocalized Deformation

A. A. Shibkov, A. E. Zolotov, M. A. Zheltov, and A. A. Denisov p. 105  abstract

Lattice Dynamics and Phase Transitions

Praphase Concept for the Phenomenological Description of Magnetoelectrics

V. P. Sakhnenko and N. V. Ter-Oganessian p. 112  abstract

Invar Effect in PbFe_1/2Nb_1/2O₃ Ceramics

A.V. Pavlenko, L.A. Shilkina, and L.A. Reznichenko p. 118  abstract

Physical Properties of Crystals

Static Photoelasticity of Gallium Phosphide Crystals

B. G. Mytsyk, A. S. Andrushchak, and Ya. P. Kost’ p. 124  abstract

Ab Initio Calculation of Elastic and Electromechanical Constants of Langasite Family Crystals

A. P. Dudka p. 131  abstract

Surface and Thin Films

Basic Analysis of Reflectometry Data Software Package for the Analysis
of Multilayered Structures According to Reflectometry Data

S. B. Astaf’ev, B. M. Shchedrin, and L. G. Yanusova p. 134  abstract

Nanomaterials

Nanostructured Crystals of Sr_1–xR_xF_2+x Fluorite Phases and Their Ordering:
6. Microindentation Analysis of Crystals

M. Yu. Gryaznov, S. V. Shotin, V. N. Chuvil’deev, M. O. Marychev,
E. A. Sul’yanova, S. N. Sul’yanov, and B. P. Sobolev p.144  abstract

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