Materials Data on V3S4 by Materials Project
V3S4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.67+ sites. In the first V+2.67+ site, V+2.67+ is bonded to seven S2- atoms to form a mixture of distorted edge and face-sharing VS7 pentagonal bipyramids. There are a spread of V–S bond distances ranging from 2.42–2.55 Å. In the second V+2.67+ site, V+2.67+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are four shorter (2.40 Å) and four longer (3.01 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five V+2.67+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six V+2.67+ 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:
- 1271725
- Report Number(s):
- mp-560908
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Tl3(V3S4)8 by Materials Project
Materials Data on Tl3(V3S4)8 by Materials Project