Materials Data on V8Ga41 by Materials Project
V8Ga41 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of V–Ga bond distances ranging from 2.52–2.75 Å. In the second V site, V is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of V–Ga bond distances ranging from 2.53–2.79 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.95 Å) and six longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two V and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–2.99 Å. In the third Ga site, Ga is bonded in a distorted linear geometry to two equivalent V and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.79 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–2.87 Å. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and three Ga atoms. The Ga–Ga bond length is 2.84 Å. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.93 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two V and five Ga atoms. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V and five Ga atoms. In the ninth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent V and six equivalent Ga 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:
- 1197270
- Report Number(s):
- mp-21965
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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