U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr2As by Materials Project
Abstract
Cr2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.56 Å) and four longer (2.67 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded to four As atoms to form a mixture of distorted edge and corner-sharing CrAs4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Cr–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to nine Cr atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Cr atoms.
- Publication Date:
- Other Number(s):
- mp-22064
- 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; As-Cr; Cr2As; crystal structure
- OSTI Identifier:
- 1197326
- DOI:
- https://doi.org/10.17188/1197326
Citation Formats
Materials Data on Cr2As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197326.
Materials Data on Cr2As by Materials Project. United States. doi:https://doi.org/10.17188/1197326
2020.
"Materials Data on Cr2As by Materials Project". United States. doi:https://doi.org/10.17188/1197326. https://www.osti.gov/servlets/purl/1197326. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197326,
title = {Materials Data on Cr2As by Materials Project},
abstractNote = {Cr2As crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.56 Å) and four longer (2.67 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded to four As atoms to form a mixture of distorted edge and corner-sharing CrAs4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.45 Å) Cr–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to nine Cr atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Cr atoms.},
doi = {10.17188/1197326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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