U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BeCrO4 by Materials Project
Abstract
BeCrO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two BeCrO4 sheets oriented in the (1, 0, 0) direction. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.54 Å) and one longer (1.56 Å) Be–O bond length. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.59–1.70 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Be2+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Be2+ and one Cr6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Be2+ and one Cr6+ atom.
- Publication Date:
- Other Number(s):
- mp-772665
- 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; Be-Cr-O; BeCrO4; crystal structure
- OSTI Identifier:
- 1301403
- DOI:
- https://doi.org/10.17188/1301403
Citation Formats
Materials Data on BeCrO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301403.
Materials Data on BeCrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1301403
2020.
"Materials Data on BeCrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1301403. https://www.osti.gov/servlets/purl/1301403. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1301403,
title = {Materials Data on BeCrO4 by Materials Project},
abstractNote = {BeCrO4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two BeCrO4 sheets oriented in the (1, 0, 0) direction. Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.54 Å) and one longer (1.56 Å) Be–O bond length. Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.59–1.70 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Be2+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Be2+ and one Cr6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Be2+ and one Cr6+ atom.},
doi = {10.17188/1301403},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}