U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsRb2InF6 by Materials Project
Abstract
CsRb2InF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.79 Å. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent CsF6 octahedra, and faces with four equivalent InF6 octahedra. All Rb–F bond lengths are 3.48 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent CsF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to one Cs1+, four equivalent Rb1+, and one In3+ atom.
- Publication Date:
- Other Number(s):
- mp-989595
- 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; Cs-F-In-Rb; CsRb2InF6; crystal structure
- OSTI Identifier:
- 1316893
- DOI:
- https://doi.org/10.17188/1316893
Citation Formats
Materials Data on CsRb2InF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316893.
Materials Data on CsRb2InF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316893
2020.
"Materials Data on CsRb2InF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316893. https://www.osti.gov/servlets/purl/1316893. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1316893,
title = {Materials Data on CsRb2InF6 by Materials Project},
abstractNote = {CsRb2InF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.79 Å. Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent CsF6 octahedra, and faces with four equivalent InF6 octahedra. All Rb–F bond lengths are 3.48 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent CsF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to one Cs1+, four equivalent Rb1+, and one In3+ atom.},
doi = {10.17188/1316893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}