U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2InAgI6 by Materials Project
Abstract
K2AgInI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent I1- atoms to form KI12 cuboctahedra that share corners with twelve equivalent KI12 cuboctahedra, faces with six equivalent KI12 cuboctahedra, faces with four equivalent AgI6 octahedra, and faces with four equivalent InI6 octahedra. All K–I bond lengths are 4.21 Å. Ag1+ is bonded to six equivalent I1- atoms to form AgI6 octahedra that share corners with six equivalent InI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–I bond lengths are 3.00 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent AgI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.96 Å. I1- is bonded in a distorted linear geometry to four equivalent K1+, one Ag1+, and one In3+ atom.
- Publication Date:
- Other Number(s):
- mp-1112095
- 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; Ag-I-In-K; K2InAgI6; crystal structure
- OSTI Identifier:
- 1687939
- DOI:
- https://doi.org/10.17188/1687939
Citation Formats
Materials Data on K2InAgI6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687939.
Materials Data on K2InAgI6 by Materials Project. United States. doi:https://doi.org/10.17188/1687939
2020.
"Materials Data on K2InAgI6 by Materials Project". United States. doi:https://doi.org/10.17188/1687939. https://www.osti.gov/servlets/purl/1687939. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1687939,
title = {Materials Data on K2InAgI6 by Materials Project},
abstractNote = {K2AgInI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent I1- atoms to form KI12 cuboctahedra that share corners with twelve equivalent KI12 cuboctahedra, faces with six equivalent KI12 cuboctahedra, faces with four equivalent AgI6 octahedra, and faces with four equivalent InI6 octahedra. All K–I bond lengths are 4.21 Å. Ag1+ is bonded to six equivalent I1- atoms to form AgI6 octahedra that share corners with six equivalent InI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–I bond lengths are 3.00 Å. In3+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent AgI6 octahedra and faces with eight equivalent KI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 2.96 Å. I1- is bonded in a distorted linear geometry to four equivalent K1+, one Ag1+, and one In3+ atom.},
doi = {10.17188/1687939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}