U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrGaP2 by Materials Project
Abstract
CrGaP2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent P3- atoms to form CrP4 tetrahedra that share corners with four equivalent CrP4 tetrahedra and corners with eight equivalent GaP4 tetrahedra. All Cr–P bond lengths are 2.34 Å. Ga3+ is bonded to four equivalent P3- atoms to form GaP4 tetrahedra that share corners with four equivalent GaP4 tetrahedra and corners with eight equivalent CrP4 tetrahedra. All Ga–P bond lengths are 2.39 Å. P3- is bonded to two equivalent Cr3+ and two equivalent Ga3+ atoms to form corner-sharing PCr2Ga2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1018079
- 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; Cr-Ga-P; CrGaP2; crystal structure
- OSTI Identifier:
- 1350209
- DOI:
- https://doi.org/10.17188/1350209
Citation Formats
Materials Data on CrGaP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350209.
Materials Data on CrGaP2 by Materials Project. United States. doi:https://doi.org/10.17188/1350209
2020.
"Materials Data on CrGaP2 by Materials Project". United States. doi:https://doi.org/10.17188/1350209. https://www.osti.gov/servlets/purl/1350209. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1350209,
title = {Materials Data on CrGaP2 by Materials Project},
abstractNote = {CrGaP2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent P3- atoms to form CrP4 tetrahedra that share corners with four equivalent CrP4 tetrahedra and corners with eight equivalent GaP4 tetrahedra. All Cr–P bond lengths are 2.34 Å. Ga3+ is bonded to four equivalent P3- atoms to form GaP4 tetrahedra that share corners with four equivalent GaP4 tetrahedra and corners with eight equivalent CrP4 tetrahedra. All Ga–P bond lengths are 2.39 Å. P3- is bonded to two equivalent Cr3+ and two equivalent Ga3+ atoms to form corner-sharing PCr2Ga2 tetrahedra.},
doi = {10.17188/1350209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 04:00:00 UTC 2020},
month = {Fri Jul 24 04:00:00 UTC 2020}
}
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