Materials Data on V5S8 by Materials Project
V5S8 is beta indium sulfide-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent V+3.20+ sites. In the first V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of V–S bond distances ranging from 2.29–2.48 Å. In the second V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of V–S bond distances ranging from 2.29–2.49 Å. In the third V+3.20+ site, V+3.20+ is bonded to six S2- atoms to form a mixture of face and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are four shorter (2.41 Å) and two longer (2.43 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four V+3.20+ atoms to form a mixture of distorted edge and corner-sharing SV4 trigonal pyramids. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three V+3.20+ atoms. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four V+3.20+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1284575
- Report Number(s):
- mp-690772
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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