The crystal structure of the mineral lautite (copper arsenic sulfide), CuAsS, previously described as either centrosymmetric [Pnma; Marumo & Nowacki (1964 ▶). Schweiz. Miner. Petro. Mitt.44, 439-454] or noncentrosymmetric [Pna2(1); Craig & Stephenson (1965 ▶). Acta Cryst.19, 543-547], was reinvestigated by means of single-crystal X-ray diffraction. The centrosymmetric structural model reported ...

The 2.5-A resolution crystal structure is reported for an actin dimer, composed of two protomers cross-linked along the longitudinal (or vertical) direction of the F-actin filament. The crystal structure provides an atomic resolution view of a molecular interface between actin protomers, which we argue represents a near-native interaction in the F-actin filament. The interaction involves subdom...

The phonon dispersion relations calculated by atomic model: shell model and ab initio, and by microcontinuum theory are introduced in this paper. It is found that both atomic models and microcontinuum theory can describe the common feature of phonon dispersion relation for the crystal having more than one atom per primitive cell and can give a good fit to the experimentally measured data. The o...

Thin films of topological insulators are often capped with an insulating layer since topological insulators are known to be fragile to degradation. However, capping can hinder the observation of novel transport properties of the surface states. To understand the influence of capping on the surface states, it is crucial to understand the crystal structure and the atomic arrangement at the interf...

The characterisation of porous crystalline solids often relies on single crystal X-ray diffraction, which does not give direct information about the surface of the material. Here, crystals of a porous organic cage, CC3-R, are investigated by atomic force microscopy and shown to possess two distinct gas-solid interfaces, proving that the bulk crystal structure is preserved at the porous crystal ...

Using computer simulations, we establish that the structure of a supercooled binary atomic liquid mixture consists common neighbour structures similar to those found in equilibrium crystal phase, Laves structure. Despite large accumulation crystal-like structure, represents true metastable and can borrow without being destabilized. We consider whether this feature might be origin all instances ...

The crystal structure of the title compound was previously reported with composition 'Pd20Sn13' [Sarah et al. (1981 ▸). Z. Metallkd, 72, 517-520]. For the original structure model, as determined from powder X-ray data, atomic coordinates from the isostructural compound Ni13Ga3Ge6 were transferred. The present structure determination, resulting in a composition Pd6.69Sn4.31, is based on single c...

Atomic coordinates of E. Coli tRNA1Val have been generated from the X-ray crystal structure of Yeast tRNAPhe by base substitution followed by idealization...