issue contents

ISSN: 2052-5206

February 2022 issue

Highlighted illustration

Cover illustration: Crystal growth morphologies of NIME in the bulk exhibit strong temperature dependence: (top right) 140°C, (top left) 80°C, (bottom left) 30°C and (bottom right) 18°C [see Shi et al. (2022). Acta Cryst. B78, 33–39].

research papers

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An accurate single-crystal X-ray diffraction study of (Nd0.91Bi0.09)Fe3(BO3)4 was performed in the tem­per­ature range 20–500 K. The tem­per­ature-dependent behaviour of the structural parameters is com­pared with the behaviours of other rare-earth iron bor­ates.

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A method for searching for homo­metric structures using symmetry operations has been developed. The method was applied to the Inorganic Crystal Structure Database and homo­metric structures are found for 37 reported structures.

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The crystal structure of the low-temperature 2O polytype of CuII3TeVIO6 (the mineral mcalpineite) has been determined by 3D electron diffraction (3D ED) and Rietveld refinement following X-ray powder diffraction (PXRD).

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Fiber growth of nimesulide, a precursor of glass-to-crystal growth in supercooled liquid, is reported.

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The structures of centrosymmetric perovskites (ABX3) are modelled by transforming crystallographic data into a Cartesian space defining BX6 octahedral tilting and distortion. Structural evolution and phase transitions under variable (p–T–X)-conditions are analysed and predicted.

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The replacement of Na+ by alkali metal cations with larger ionic radii (Rb+ and Cs+) in compounds with the chemical formula A2Mg3(SO4)4 significantly changes the topology of the heteropolyhedral MT framework.

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Two polymorphic forms of 1-allyl-4-hy­droxy-2,2-dioxo-N-(4-meth­oxy­phenyl)-1-2λ6,1-benzo­thia­zine-3-carboxamide (a structural analogue of piroxicam) have different crystal structures from the energetic viewpoint and different biological activity. A slow polymorphic transition after grinding results in the loss of the biological activity.

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Topological analysis of the heteropolyhedral MT framework (where M and T are octahedral and tetrahedral cations, respectively) in the eudialyte-type structure and its derivatives was performed based on a natural tiling analysis of the 3D cation nets with the ToposPro software using both the standard representation and the 0-1-2-free representation.

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Variable-temperature single-crystal synchrotron diffraction experiments treated with the Gandolfi method reveal the structural phase transitions and thermal expansivities for the energetic material FOX-7.
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