Materials Data on K2SnBi by Materials Project
K2SnBi crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to four equivalent Sn and four equivalent Bi atoms. There are two shorter (3.88 Å) and two longer (4.09 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.62–3.90 Å. In the second K site, K is bonded in a 2-coordinate geometry to four equivalent Sn and four equivalent Bi atoms. There are two shorter (3.95 Å) and two longer (4.05 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.66–3.89 Å. Sn is bonded to eight K, two equivalent Sn, and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing SnK8Sn2Bi2 cuboctahedra. Both Sn–Sn bond lengths are 3.32 Å. Both Sn–Bi bond lengths are 3.08 Å. Bi is bonded in a 10-coordinate geometry to eight K and two equivalent Sn 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:
- 1205699
- Report Number(s):
- mp-31486
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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