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Title: Materials Data on Ga4GeS4 by Materials Project

Abstract

Ga4GeS4 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded to one Ge and three equivalent S atoms to form distorted corner-sharing GaGeS3 tetrahedra. The Ga–Ge bond length is 2.48 Å. All Ga–S bond lengths are 2.39 Å. In the second Ga site, Ga is bonded to one Ge and three S atoms to form distorted corner-sharing GaGeS3 tetrahedra. The Ga–Ge bond length is 2.52 Å. There are two shorter (2.34 Å) and one longer (2.37 Å) Ga–S bond lengths. Ge is bonded in a tetrahedral geometry to four Ga atoms. There are two inequivalent S sites. In the first S site, S is bonded in a trigonal non-coplanar geometry to three equivalent Ga atoms. In the second S site, S is bonded in a trigonal non-coplanar geometry to three Ga atoms.

Publication Date:
Other Number(s):
mp-531297
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; Ga4GeS4; Ga-Ge-S
OSTI Identifier:
1263315
DOI:
https://doi.org/10.17188/1263315

Citation Formats

The Materials Project. Materials Data on Ga4GeS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263315.
The Materials Project. Materials Data on Ga4GeS4 by Materials Project. United States. doi:https://doi.org/10.17188/1263315
The Materials Project. 2020. "Materials Data on Ga4GeS4 by Materials Project". United States. doi:https://doi.org/10.17188/1263315. https://www.osti.gov/servlets/purl/1263315. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1263315,
title = {Materials Data on Ga4GeS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga4GeS4 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Ga sites. In the first Ga site, Ga is bonded to one Ge and three equivalent S atoms to form distorted corner-sharing GaGeS3 tetrahedra. The Ga–Ge bond length is 2.48 Å. All Ga–S bond lengths are 2.39 Å. In the second Ga site, Ga is bonded to one Ge and three S atoms to form distorted corner-sharing GaGeS3 tetrahedra. The Ga–Ge bond length is 2.52 Å. There are two shorter (2.34 Å) and one longer (2.37 Å) Ga–S bond lengths. Ge is bonded in a tetrahedral geometry to four Ga atoms. There are two inequivalent S sites. In the first S site, S is bonded in a trigonal non-coplanar geometry to three equivalent Ga atoms. In the second S site, S is bonded in a trigonal non-coplanar geometry to three Ga atoms.},
doi = {10.17188/1263315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}