Elucidation of molecular crystals with one-, two- or three-dimensional geometrical models

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.

A rod- and tessellation-based comparative analysis of polymorphic and structurally-invariant molecular crystals: application to sulfa­thia­zole and 2-benzyl-5-benzyl­idene­cyclo­pentano­nes

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.

(Na,Li)₃(Cl,OH)[Cu₃OAl(PO₄)₃]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure

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.

Pyrite contact twins

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

Conductivity, its anisotropy and changes as a manifestation of the features of the atomic and real structures of superprotonic [K_1–x(NH₄)_x]₃H(SO₄)₂ crystals

Single crystals of [K_1–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. [K_1–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.

Comparative study of the short-range structure of α-V₂O₅, α-TeO₂ and xV₂O₅–(100 − x)TeO₂ glasses using X-ray diffraction, Rietveld analysis and reverse Monte Carlo simulations

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.

Competition of interactions and a new high-temperature phase of seleno­urea

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.

Effect of nano-SiC doping on the structure and superconducting properties of Mg(B_1–xC_x)₂

Solid-state reaction carbon doping in Mg(B_1–xC_x)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.

Solid-state versatility in tranexamic acid drug: structural and thermal behavior of new salts and cocrystals

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

Molecular structure of two copper complexes with pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domains single-crystal X-ray diffraction. Addendum

A reference to the prior publication of one of the crystal structures reported by Tobón-Zapata [Acta Cryst. (2022), B78, 490–498] is given.