U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Ga3 by Materials Project
Abstract
K2Ga3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to five K and nine Ga atoms. There are one shorter (3.28 Å) and four longer (3.75 Å) K–K bond lengths. There are eight shorter (3.74 Å) and one longer (3.76 Å) K–Ga bond lengths. In the second K site, K is bonded in a 4-coordinate geometry to four equivalent K and four equivalent Ga atoms. All K–Ga bond lengths are 3.52 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent K and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–2.77 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to five K and four equivalent Ga atoms.
- Publication Date:
- Other Number(s):
- mp-568052
- 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; Ga-K; K2Ga3; crystal structure
- OSTI Identifier:
- 1274223
- DOI:
- https://doi.org/10.17188/1274223
Citation Formats
Materials Data on K2Ga3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274223.
Materials Data on K2Ga3 by Materials Project. United States. doi:https://doi.org/10.17188/1274223
2020.
"Materials Data on K2Ga3 by Materials Project". United States. doi:https://doi.org/10.17188/1274223. https://www.osti.gov/servlets/purl/1274223. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274223,
title = {Materials Data on K2Ga3 by Materials Project},
abstractNote = {K2Ga3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to five K and nine Ga atoms. There are one shorter (3.28 Å) and four longer (3.75 Å) K–K bond lengths. There are eight shorter (3.74 Å) and one longer (3.76 Å) K–Ga bond lengths. In the second K site, K is bonded in a 4-coordinate geometry to four equivalent K and four equivalent Ga atoms. All K–Ga bond lengths are 3.52 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent K and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.56–2.77 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to five K and four equivalent Ga atoms.},
doi = {10.17188/1274223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}