Materials Data on V3Sn by Materials Project
V3Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to eight V and four equivalent Sn atoms to form distorted VV8Sn4 cuboctahedra that share corners with four equivalent SnV12 cuboctahedra, corners with fourteen VV8Sn4 cuboctahedra, edges with six equivalent SnV12 cuboctahedra, edges with twelve VV8Sn4 cuboctahedra, faces with four equivalent SnV12 cuboctahedra, and faces with sixteen VV8Sn4 cuboctahedra. There are a spread of V–V bond distances ranging from 2.53–3.12 Å. There are two shorter (2.83 Å) and two longer (2.89 Å) V–Sn bond lengths. In the second V site, V is bonded to eight equivalent V and four equivalent Sn atoms to form distorted VV8Sn4 cuboctahedra that share corners with four equivalent SnV12 cuboctahedra, corners with fourteen VV8Sn4 cuboctahedra, edges with six equivalent SnV12 cuboctahedra, edges with twelve equivalent VV8Sn4 cuboctahedra, faces with four equivalent SnV12 cuboctahedra, and faces with sixteen VV8Sn4 cuboctahedra. There are two shorter (2.83 Å) and two longer (2.89 Å) V–Sn bond lengths. Sn is bonded to twelve V atoms to form SnV12 cuboctahedra that share corners with six equivalent SnV12 cuboctahedra, corners with twelve VV8Sn4 cuboctahedra, edges with eighteen VV8Sn4 cuboctahedra, faces with eight equivalent SnV12 cuboctahedra, and faces with twelve VV8Sn4 cuboctahedra.
- 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:
- 1197427
- Report Number(s):
- mp-22211
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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