U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2InBiF6 by Materials Project
Abstract
Cs2InBiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent BiF6 octahedra. All Cs–F bond lengths are 3.49 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent BiF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.65 Å. Bi3+ is bonded to six equivalent F1- atoms to form BiF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–F bond lengths are 2.29 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one In1+, and one Bi3+ atom.
- Publication Date:
- Other Number(s):
- mp-989538
- 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; Bi-Cs-F-In; Cs2InBiF6; crystal structure
- OSTI Identifier:
- 1316837
- DOI:
- https://doi.org/10.17188/1316837
Citation Formats
Materials Data on Cs2InBiF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316837.
Materials Data on Cs2InBiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316837
2020.
"Materials Data on Cs2InBiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316837. https://www.osti.gov/servlets/purl/1316837. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1316837,
title = {Materials Data on Cs2InBiF6 by Materials Project},
abstractNote = {Cs2InBiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent InF6 octahedra, and faces with four equivalent BiF6 octahedra. All Cs–F bond lengths are 3.49 Å. In1+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent BiF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.65 Å. Bi3+ is bonded to six equivalent F1- atoms to form BiF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–F bond lengths are 2.29 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one In1+, and one Bi3+ atom.},
doi = {10.17188/1316837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}