Synthesis, crystal structure and properties of μ-tetra-thio-anti-monato-bis-[(cyclam)zinc(II)] perchlorate 0.8-hydrate.

The reaction of Zn(ClO)·6HO with NaSbS·9HO in a water/aceto-nitrile mixture leads to the formation of the title compound, (μ-tetra-thio-anti-monato-κ :')bis-[(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ )zinc(II)] perchlorate 0.8-hydrate, [Zn(SbS)(CHN)]ClO·0.8HO or [(Zn-cyclam)(SbS)][ClO]·0.

Synthesis and in-depth structure determination of a novel metastable high-pressure CrTe phase.

This study reports the synthesis and crystal structure determination of a novel CrTe phase using various experimental and theoretical methods. The average stoichiometry and local phase separation of this quenched high-pressure phase were characterized by synchrotron powder X-ray diffraction and total scattering. Several structural models were obtained using simulated annealing, but all suffered from an imperfect Rietveld refinement, especially at higher diffraction angles.

Sonication-assisted liquid phase exfoliation of two-dimensional CrTe under inert conditions.

Liquid phase exfoliation (LPE) has been used for the successful fabrication of nanosheets from a large number of van der Waals materials. While this allows to study fundamental changes of material properties' associated with reduced dimensions, it also changes the chemistry of many materials due to a significant increase of the effective surface area, often accompanied with enhanced reactivity and accelerated oxidation. To prevent material decomposition, LPE and processing in inert atmosphere have been developed, which enables the preparation of pristine nanomaterials, and to systematically study compositional changes over time for different storage conditions.

Room-Temperature Solid-State Transformation of Na SnS ⋅ 14H O into Na Sn S ⋅ 5H O: An Unusual Epitaxial Reaction Including Bond Formation, Mass Transport, and Ionic Conductivity.

A highly unusual solid-state epitaxy-induced phase transformation of Na SnS  ⋅ 14H O (I) into Na Sn S  ⋅ 5H O (II) occurs at room temperature. Ab initio molecular dynamics (AIMD) simulations indicate an internal acid-base reaction to form [SnS SH] which condensates to [Sn S ] . The reaction involves a complex sequence of O-H bond cleavage, S protonation, Sn-S bond formation and diffusion of various species while preserving the crystal morphology.

Composition-driven archetype dynamics in polyoxovanadates.

Molecular metal oxides often adopt common structural frameworks ( archetypes), many of them boasting impressive structural robustness and stability. However, the ability to adapt and to undergo transformations between different structural archetypes is a desirable material design feature offering applicability in different environments. Using systems thinking approach that integrates synthetic, analytical and computational techniques, we explore the transformations governing the chemistry of polyoxovanadates (POVs) constructed of arsenate and vanadate building units.