Materials Data on CrO3 by Materials Project
Abstract
CrO3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four CrO3 ribbons oriented in the (0, 0, 1) direction. Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.58–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-772550
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CrO3; Cr-O
- OSTI Identifier:
- 1301336
- DOI:
- https://doi.org/10.17188/1301336
Citation Formats
The Materials Project. Materials Data on CrO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301336.
The Materials Project. Materials Data on CrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1301336
The Materials Project. 2020.
"Materials Data on CrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1301336. https://www.osti.gov/servlets/purl/1301336. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301336,
title = {Materials Data on CrO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CrO3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four CrO3 ribbons oriented in the (0, 0, 1) direction. Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.58–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1301336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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