U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3BiO3 by Materials Project
Abstract
Cs3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.14 Å) and three longer (3.31 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.16 Å) and three longer (3.27 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.86 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a 6-coordinate geometry to five Cs1+ and one Bi3+ atom.
- Publication Date:
- Other Number(s):
- mp-29505
- 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-O; Cs3BiO3; crystal structure
- OSTI Identifier:
- 1203978
- DOI:
- https://doi.org/10.17188/1203978
Citation Formats
Materials Data on Cs3BiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203978.
Materials Data on Cs3BiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1203978
2020.
"Materials Data on Cs3BiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1203978. https://www.osti.gov/servlets/purl/1203978. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1203978,
title = {Materials Data on Cs3BiO3 by Materials Project},
abstractNote = {Cs3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.14 Å) and three longer (3.31 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.16 Å) and three longer (3.27 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Cs–O bond lengths are 2.86 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a 6-coordinate geometry to five Cs1+ and one Bi3+ atom.},
doi = {10.17188/1203978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}