Materials Data on V4GeS8 by Materials Project

Abstract

V4GeS8 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six S2- atoms to form distorted VS6 octahedra that share corners with three equivalent GeS4 tetrahedra and edges with six VS6 octahedra. There are a spread of V–S bond distances ranging from 2.28–2.58 Å. In the second V3+ site, V3+ is bonded to six S2- atoms to form distorted VS6 octahedra that share corners with three equivalent GeS4 tetrahedra and edges with six VS6 octahedra. There are a spread of V–S bond distances ranging from 2.28–2.58 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with twelve VS6 octahedra. The corner-sharing octahedra tilt angles range from 64–65°. There are two shorter (2.29 Å) and two longer (2.30 Å) Ge–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three V3+ atoms. In the second S2- site, S2- is bonded to three V3+ and one Ge4+ atom to form a mixture of edge and corner-sharing SV3Ge tetrahedra. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three V3+ atoms. In the fourth S2- site, S2- is bonded to three V3+ and one Ge4+ atom to form a mixture of edge and corner-sharing SV3Ge tetrahedra.