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Title: Materials Data on GaSi(MoS2)4 by Materials Project

Abstract

GaSi(MoS2)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+2.25+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (2.36 Å) and three longer (2.93 Å) Mo–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra. All Ga–S bond lengths are 2.50 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra. All Si–S bond lengths are 2.09 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to three equivalent Mo+2.25+, one Ga3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+2.25+ atoms.

Publication Date:
Other Number(s):
mp-16338
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; GaSi(MoS2)4; Ga-Mo-S-Si
OSTI Identifier:
1191825
DOI:
https://doi.org/10.17188/1191825

Citation Formats

The Materials Project. Materials Data on GaSi(MoS2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191825.
The Materials Project. Materials Data on GaSi(MoS2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1191825
The Materials Project. 2020. "Materials Data on GaSi(MoS2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1191825. https://www.osti.gov/servlets/purl/1191825. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1191825,
title = {Materials Data on GaSi(MoS2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {GaSi(MoS2)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+2.25+ is bonded in a 6-coordinate geometry to six S2- atoms. There are three shorter (2.36 Å) and three longer (2.93 Å) Mo–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra. All Ga–S bond lengths are 2.50 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra. All Si–S bond lengths are 2.09 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to three equivalent Mo+2.25+, one Ga3+, and one Si4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+2.25+ atoms.},
doi = {10.17188/1191825},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}