U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr2GaS4 by Materials Project
Abstract
Cr2GaS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr+2.50+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent GaS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.42 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ga–S bond lengths are 2.38 Å. S2- is bonded to three equivalent Cr+2.50+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SCr3Ga trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1104382
- 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-S; Cr2GaS4; crystal structure
- OSTI Identifier:
- 1718399
- DOI:
- https://doi.org/10.17188/1718399
Citation Formats
Materials Data on Cr2GaS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718399.
Materials Data on Cr2GaS4 by Materials Project. United States. doi:https://doi.org/10.17188/1718399
2020.
"Materials Data on Cr2GaS4 by Materials Project". United States. doi:https://doi.org/10.17188/1718399. https://www.osti.gov/servlets/purl/1718399. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1718399,
title = {Materials Data on Cr2GaS4 by Materials Project},
abstractNote = {Cr2GaS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr+2.50+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent GaS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.42 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ga–S bond lengths are 2.38 Å. S2- is bonded to three equivalent Cr+2.50+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SCr3Ga trigonal pyramids.},
doi = {10.17188/1718399},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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