U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr2As by Materials Project
Abstract
Cr2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to five equivalent As atoms to form a mixture of distorted edge and corner-sharing CrAs5 square pyramids. There are one shorter (2.44 Å) and four longer (2.54 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent As atoms. All Cr–As bond lengths are 2.51 Å. As is bonded in a 9-coordinate geometry to nine Cr atoms.
- Publication Date:
- Other Number(s):
- mp-20552
- 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:
- 1195683
- DOI:
- https://doi.org/10.17188/1195683
Citation Formats
Materials Data on Cr2As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195683.
Materials Data on Cr2As by Materials Project. United States. doi:https://doi.org/10.17188/1195683
2020.
"Materials Data on Cr2As by Materials Project". United States. doi:https://doi.org/10.17188/1195683. https://www.osti.gov/servlets/purl/1195683. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195683,
title = {Materials Data on Cr2As by Materials Project},
abstractNote = {Cr2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to five equivalent As atoms to form a mixture of distorted edge and corner-sharing CrAs5 square pyramids. There are one shorter (2.44 Å) and four longer (2.54 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent As atoms. All Cr–As bond lengths are 2.51 Å. As is bonded in a 9-coordinate geometry to nine Cr atoms.},
doi = {10.17188/1195683},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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