U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrO2 by Materials Project
Abstract
CrO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Cr–O bond distances ranging from 1.90–1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Cr4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1181747
- 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; CrO2; Cr-O
- OSTI Identifier:
- 1722122
- DOI:
- https://doi.org/10.17188/1722122
Citation Formats
The Materials Project. Materials Data on CrO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722122.
The Materials Project. Materials Data on CrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1722122
The Materials Project. 2020.
"Materials Data on CrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1722122. https://www.osti.gov/servlets/purl/1722122. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1722122,
title = {Materials Data on CrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CrO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Cr–O bond distances ranging from 1.90–1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Cr4+ atoms.},
doi = {10.17188/1722122},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}
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