Structure of a new high-pressure–high-temperature modification of antimony(III) oxide, γ-Sb₂O₃, from high-resolution synchrotron powder diffraction data

The crystal structure of a new quenchable high-pressure–high-temperature modification of antimony(III) oxide, γ-Sb₂O₃, with rare 3,3T8 topology has been determined from high-resolution synchrotron powder diffraction data.

High-precision absolute lattice parameter determination of SrTiO₃, DyScO₃ and NdGaO₃ single crystals

The lattice parameters of SrTiO₃ and DyScO₃, and NdGaO₃ single crystals have been measured with high precision at room temperature with a relative accuracy of the order of 10⁻⁵.

Structure of the new mineral sarrabusite, Pb₅CuCl₄(SeO₃)₄, solved by manual electron-diffraction tomography

The crystal structure of the new mineral sarrabusite Pb₅CuCl₄(SeO₃)₄ has been solved using a manual and an automated version of the new electron-diffraction tomography technique combined with the precession of the electron beam.

Structure maps for A^I₄A^II₆(BO₄)₆X₂ apatite compounds via data mining

This paper describes a data-driven strategy using principal component analysis and K-means clustering to discover the best classifiers for constructing structure maps.

Polymorphism of Li₂Zn₃

Crystal structures of low- and high-temperature modifications of a binary phase Li₂Zn₃ were demonstrated by single-crystal X-ray diffraction techniques. The low-temperature modification is a disordered variant of Li₅Sn₂, space group . The high-temperature modification crystallizes as an anti-type to Li₅Ga₄, space group . Two polymorphs can be described as derivative structures to binary Li₅Ga₄, Li₅Sn₂, Li₁₃Sn₅, Li₈Pb₃, CeCd₂ and CdI₂ phases.

Structural phase transition to disorder low-temperature phase in [Fe(ptz)₆](BF₄)₂ spin-crossover compounds

In the spin-crossover compound [Fe(ptz)₆](BF₄)₂ six different phases are observed. The low-spin disordered phase was solved in a novel approach to accommodate the very unusual twinning.

Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid

A series of alkali bromanilate salts has been studied. The quinoid rings of hydrogen bromanilate anions stack face-to-face with a short centroid separation of 3.3 Å and no offset.

An order–disorder phase transition in the structure of C₆₀·4benzene

The crystal structure of C₆₀·4benzene has been re-examined at 157, 93 and 13 K, and found to undergo an order–disorder phase transition that enables more accurate structural information for the most common fullerene to be obtained at low temperature.

Hydrogen-bridged chelate ring-assisted π-stacking interactions

Novel hydrogen-bridged ring-assisted π-stacking interactions are presented and discussed.

Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs

Diffuse X-ray scattering experiments were performed on single crystals of the two most commonly found polymorphs of paracetamol. Diffraction data calculated from simple Monte Carlo models of these forms are in good agreement with the observed data. Investigation of the models show that disordered displacements similar to that in the real crystal can be generated in a model based solely on knowledge of intermolecular potentials and atomic coordinates obtained from a Bragg diffraction experiment. Comparison of the correlated motions between the crystal forms revealed no further insight into the form (II) → (I) transition.

Revision of the Mg(ClO₄)₂·4H₂O crystal structure

The restrained Rietveld analysis of the crystal structure of magnesium perchlorate tetrahydrate, Mg(ClO₄)₂(H₂O)₄ [Robertson & Bish (2010). Acta Cryst. B66, 579–584], is revised. The structure is re-refined in the C2/m space group by the derivative difference method, anisotropically for all non-H atoms and isotropically for H atoms without restraints.

Lattice constants and thermal expansion of H₂O and D₂O Ice Ih between 10 and 265 K. Addendum

An addendum to the article by Röttger et al. [Acta Cryst. (1994). B50, 644–648].

Water channel structure of bassanite at high air humidity: crystal structure of CaSO₄·0.625H₂O. Corrigendum

Corrigendum to the article by Schmidt et al. [Acta Cryst. (2011). B67, 467–475].

Notes for authors 2012

Structural Mineralogy and Inorganic Crystal Chemistry