Materials Data on V6Si5 by Materials Project
V6Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent V2+ sites. In the first V2+ site, V2+ is bonded in a 8-coordinate geometry to two equivalent V2+ and six Si+2.40- atoms. Both V–V bond lengths are 2.42 Å. There are a spread of V–Si bond distances ranging from 2.44–2.56 Å. In the second V2+ site, V2+ is bonded to seven Si+2.40- atoms to form a mixture of corner, edge, and face-sharing VSi7 pentagonal bipyramids. There are a spread of V–Si bond distances ranging from 2.55–2.75 Å. In the third V2+ site, V2+ is bonded to seven Si+2.40- atoms to form a mixture of distorted corner, edge, and face-sharing VSi7 pentagonal bipyramids. There are a spread of V–Si bond distances ranging from 2.37–2.69 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to eight V2+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.42 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to nine V2+ atoms. In the third Si+2.40- site, Si+2.40- is bonded in a 10-coordinate geometry to seven V2+ and three equivalent Si+2.40- atoms. There are one shorter (2.44 Å) and two longer (2.77 Å) Si–Si bond lengths.
- 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:
- 1314930
- Report Number(s):
- mp-976
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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