U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr2GaN by Materials Project
Abstract
Cr2GaN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent N atoms. All Cr–Ga bond lengths are 2.68 Å. All Cr–N bond lengths are 1.96 Å. Ga is bonded to six equivalent Cr atoms to form distorted GaCr6 cuboctahedra that share corners with six equivalent NCr6 octahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra. The corner-sharing octahedral tilt angles are 21°. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent GaCr6 cuboctahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra.
- Publication Date:
- Other Number(s):
- mp-10371
- 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-N; Cr2GaN; crystal structure
- OSTI Identifier:
- 1187048
- DOI:
- https://doi.org/10.17188/1187048
Citation Formats
Materials Data on Cr2GaN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187048.
Materials Data on Cr2GaN by Materials Project. United States. doi:https://doi.org/10.17188/1187048
2020.
"Materials Data on Cr2GaN by Materials Project". United States. doi:https://doi.org/10.17188/1187048. https://www.osti.gov/servlets/purl/1187048. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187048,
title = {Materials Data on Cr2GaN by Materials Project},
abstractNote = {Cr2GaN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent N atoms. All Cr–Ga bond lengths are 2.68 Å. All Cr–N bond lengths are 1.96 Å. Ga is bonded to six equivalent Cr atoms to form distorted GaCr6 cuboctahedra that share corners with six equivalent NCr6 octahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra. The corner-sharing octahedral tilt angles are 21°. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent GaCr6 cuboctahedra, edges with six equivalent GaCr6 cuboctahedra, and edges with six equivalent NCr6 octahedra.},
doi = {10.17188/1187048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}