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Title: Materials Data on Cr2GaC by Materials Project

Abstract

Cr2GaC 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 C atoms. All Cr–Ga bond lengths are 2.65 Å. All Cr–C bond lengths are 1.97 Å. Ga is bonded to six equivalent Cr and six equivalent Ga atoms to form distorted GaCr6Ga6 cuboctahedra that share corners with six equivalent GaCr6Ga6 cuboctahedra, corners with six equivalent CCr6 octahedra, edges with six equivalent GaCr6Ga6 cuboctahedra, edges with six equivalent CCr6 octahedra, and faces with six equivalent GaCr6Ga6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Ga–Ga bond lengths are 2.87 Å. C is bonded to six equivalent Cr atoms to form CCr6 octahedra that share corners with six equivalent GaCr6Ga6 cuboctahedra, edges with six equivalent GaCr6Ga6 cuboctahedra, and edges with six equivalent CCr6 octahedra.

Publication Date:
Other Number(s):
mp-20197
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cr2GaC; C-Cr-Ga
OSTI Identifier:
1195337
DOI:
https://doi.org/10.17188/1195337

Citation Formats

The Materials Project. Materials Data on Cr2GaC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195337.
The Materials Project. Materials Data on Cr2GaC by Materials Project. United States. doi:https://doi.org/10.17188/1195337
The Materials Project. 2020. "Materials Data on Cr2GaC by Materials Project". United States. doi:https://doi.org/10.17188/1195337. https://www.osti.gov/servlets/purl/1195337. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195337,
title = {Materials Data on Cr2GaC by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2GaC 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 C atoms. All Cr–Ga bond lengths are 2.65 Å. All Cr–C bond lengths are 1.97 Å. Ga is bonded to six equivalent Cr and six equivalent Ga atoms to form distorted GaCr6Ga6 cuboctahedra that share corners with six equivalent GaCr6Ga6 cuboctahedra, corners with six equivalent CCr6 octahedra, edges with six equivalent GaCr6Ga6 cuboctahedra, edges with six equivalent CCr6 octahedra, and faces with six equivalent GaCr6Ga6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Ga–Ga bond lengths are 2.87 Å. C is bonded to six equivalent Cr atoms to form CCr6 octahedra that share corners with six equivalent GaCr6Ga6 cuboctahedra, edges with six equivalent GaCr6Ga6 cuboctahedra, and edges with six equivalent CCr6 octahedra.},
doi = {10.17188/1195337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}