U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrBiO5 by Materials Project
Abstract
CrBiO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.61–1.73 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.56 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and two equivalent Bi5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Bi5+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi5+ atom.
- Publication Date:
- Other Number(s):
- mp-1199140
- 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-Cr-O; CrBiO5; crystal structure
- OSTI Identifier:
- 1698451
- DOI:
- https://doi.org/10.17188/1698451
Citation Formats
Materials Data on CrBiO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698451.
Materials Data on CrBiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1698451
2020.
"Materials Data on CrBiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1698451. https://www.osti.gov/servlets/purl/1698451. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1698451,
title = {Materials Data on CrBiO5 by Materials Project},
abstractNote = {CrBiO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cr5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.61–1.73 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.56 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and two equivalent Bi5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Bi5+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Cr5+ and one Bi5+ atom.},
doi = {10.17188/1698451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}