U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2SnBi by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-31486
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-K-Sn; K2SnBi; crystal structure
- OSTI Identifier:
- 1205699
- DOI:
- https://doi.org/10.17188/1205699
Citation Formats
Materials Data on K2SnBi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205699.
Materials Data on K2SnBi by Materials Project. United States. doi:https://doi.org/10.17188/1205699
2020.
"Materials Data on K2SnBi by Materials Project". United States. doi:https://doi.org/10.17188/1205699. https://www.osti.gov/servlets/purl/1205699. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1205699,
title = {Materials Data on K2SnBi by Materials Project},
abstractNote = {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.},
doi = {10.17188/1205699},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}