U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KRb2InF6 by Materials Project
Abstract
Rb2KInF6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to eight F1- atoms. There are four shorter (3.05 Å) and four longer (3.28 Å) Rb–F bond lengths. K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (2.56 Å) and four longer (2.57 Å) K–F bond lengths. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (2.10 Å) and four longer (2.11 Å) In–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one K1+, and one In3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one In3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207139
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KRb2InF6; F-In-K-Rb
- OSTI Identifier:
- 1685620
- DOI:
- https://doi.org/10.17188/1685620
Citation Formats
The Materials Project. Materials Data on KRb2InF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685620.
The Materials Project. Materials Data on KRb2InF6 by Materials Project. United States. doi:https://doi.org/10.17188/1685620
The Materials Project. 2020.
"Materials Data on KRb2InF6 by Materials Project". United States. doi:https://doi.org/10.17188/1685620. https://www.osti.gov/servlets/purl/1685620. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685620,
title = {Materials Data on KRb2InF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2KInF6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to eight F1- atoms. There are four shorter (3.05 Å) and four longer (3.28 Å) Rb–F bond lengths. K1+ is bonded to six F1- atoms to form KF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (2.56 Å) and four longer (2.57 Å) K–F bond lengths. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with six equivalent KF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (2.10 Å) and four longer (2.11 Å) In–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one K1+, and one In3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one In3+ atom.},
doi = {10.17188/1685620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}