Materials Data on Ba2Sn by Materials Project
Ba2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Sn atoms to form a mixture of edge and corner-sharing BaSn4 tetrahedra. There are a spread of Ba–Sn bond distances ranging from 3.51–3.59 Å. In the second Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent Sn atoms. There are one shorter (3.63 Å) and two longer (3.79 Å) Ba–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to seven Ba 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:
- 1195008
- Report Number(s):
- mp-1981
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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