U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KGaI4 by Materials Project
Abstract
KGaI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.67–4.21 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.
- Publication Date:
- Other Number(s):
- mp-29402
- 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-I-K; KGaI4; crystal structure
- OSTI Identifier:
- 1203778
- DOI:
- https://doi.org/10.17188/1203778
Citation Formats
Materials Data on KGaI4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203778.
Materials Data on KGaI4 by Materials Project. United States. doi:https://doi.org/10.17188/1203778
2020.
"Materials Data on KGaI4 by Materials Project". United States. doi:https://doi.org/10.17188/1203778. https://www.osti.gov/servlets/purl/1203778. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1203778,
title = {Materials Data on KGaI4 by Materials Project},
abstractNote = {KGaI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.67–4.21 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.},
doi = {10.17188/1203778},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}