issue contents

ISSN: 2052-5206

February 2023 issue

Highlighted illustration

Cover illustration: The structure of 4-amino-N-(thiazol-2-ylidene)benzenesulfonamide in the closed-packed layer at x = 0.2967 (φ2D = 0.8705), with calculated void positions as green circles. [See Thomas & Hughes (2023). Acta Cryst. B79, 3–23.]

scientific commentaries

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A brief commentary is given on the article by Thomas & Hughes [Acta Cryst. (2023), B79, 3–23], which presents new geometrical models and structural descriptors for the analysis of molecular crystal structures.

research papers

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Four complementary analytical methods are applied to two direct opposites, a polymorphic organic compound and a set of relatively structurally invariant derivatives of a single compound. A general parameterization is proposed.

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A new composite crystal structure is assembled from bands of Cu-centered polyhedra, chains of AlO6 octahedra linked via PO4 tetrahedra, and includes an Na/Li salt component.

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Two new contact twins in pyrite are reported and the interpretation of another contact twin previously erroneously reported as a spinel twin is corrected.

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Single crystals of [K1–x(NH4)x]3H(SO4)2 (x ≥ 0.57) grown in the K3H(SO4)2–(NH4)3H(SO4)2–H2O system are studied using methods of X-ray structural analysis, impedance spectroscopy and atomic force microscopy. [K1–x(NH4)x]3H(SO4)2 (x ≥ 0.57) crystals have trigonal symmetry and disordered hydrogen bond networks at ambient conditions, and their bulk and local conductivities have parameters characteristic of superprotonic crystals and significantly anisotropic, which is due to the peculiarities of their crystal structure.

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Reverse Monte Carlo simulations of synchrotron X-ray diffraction data of the studied vanadium tellurite glasses found that the V–O coordination number is in the range 5.27–5.59 and the Te–O coordination number is in the range 5.39–5.67.

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A similarity rule governs the lattice transformations of seleno­urea phase α, high-temperature phase γ, hypothetical phase δ and still smaller lattice subunits. The large number of independent molecules, Z′ = 9, in phase α is explained by the occurrence of one NH⋯N hydrogen bond among 35 NH⋯Se bonds.

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Solid-state reaction carbon doping in Mg(B1–xCx)2 is studied. It is observed that the addition of both C-doped B and nano-SiC give the best superconducting properties at higher sintering temperature.

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Six new salts and five cocrystals of TNA are reported. The salt formation with MEA resulted in three different stoichiometric ratios.

addenda and errata

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