Materials Data on V5Si3 by Materials Project
V5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing VSi6 pentagonal pyramids. There are a spread of V–Si bond distances ranging from 2.49–2.72 Å. In the second V+2.40+ site, V+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent V+2.40+ and four equivalent Si4- atoms. Both V–V bond lengths are 2.36 Å. All V–Si bond lengths are 2.51 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to ten V+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent V+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.36 Å.
- 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:
- 1274636
- Report Number(s):
- mp-568671
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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