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Title: Materials Data on Cr3GaN by Materials Project

Abstract

Cr3GaN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ga and two equivalent N atoms. All Cr–Ga bond lengths are 2.71 Å. Both Cr–N bond lengths are 1.91 Å. Ga is bonded to twelve equivalent Cr atoms to form GaCr12 cuboctahedra that share corners with twelve equivalent GaCr12 cuboctahedra, faces with six equivalent GaCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent GaCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-3000
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; Cr3GaN; Cr-Ga-N
OSTI Identifier:
1204435
DOI:
https://doi.org/10.17188/1204435

Citation Formats

The Materials Project. Materials Data on Cr3GaN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204435.
The Materials Project. Materials Data on Cr3GaN by Materials Project. United States. doi:https://doi.org/10.17188/1204435
The Materials Project. 2020. "Materials Data on Cr3GaN by Materials Project". United States. doi:https://doi.org/10.17188/1204435. https://www.osti.gov/servlets/purl/1204435. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204435,
title = {Materials Data on Cr3GaN by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3GaN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ga and two equivalent N atoms. All Cr–Ga bond lengths are 2.71 Å. Both Cr–N bond lengths are 1.91 Å. Ga is bonded to twelve equivalent Cr atoms to form GaCr12 cuboctahedra that share corners with twelve equivalent GaCr12 cuboctahedra, faces with six equivalent GaCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent GaCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1204435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}