DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1104382
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cr2GaS4; Cr-Ga-S
OSTI Identifier:
1718399
DOI:
https://doi.org/10.17188/1718399

Citation Formats

The Materials Project. Materials Data on Cr2GaS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718399.
The Materials Project. Materials Data on Cr2GaS4 by Materials Project. United States. doi:https://doi.org/10.17188/1718399
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1718399,
title = {Materials Data on Cr2GaS4 by Materials Project},
author = {The 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}
}