Materials Data on BaCuSn2 by Materials Project
BaCuSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to four equivalent Cu and ten Sn atoms. All Ba–Cu bond lengths are 3.65 Å. There are a spread of Ba–Sn bond distances ranging from 3.61–3.84 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ba and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.66–2.80 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Ba, one Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.90 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ba and four equivalent Cu 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:
- 1276676
- Report Number(s):
- mp-5792
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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