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Title: Materials Data on GaGeS4 by Materials Project

Abstract

Ge(Ga)S4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ga3+ is bonded to four S+1.75- atoms to form GaS4 tetrahedra that share a cornercorner with one GaS4 tetrahedra and corners with three equivalent GeS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.31 Å. Ge4+ is bonded to four S+1.75- atoms to form GeS4 tetrahedra that share a cornercorner with one GeS4 tetrahedra and corners with three equivalent GaS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. There are five inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the second S+1.75- site, S+1.75- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the fourth S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the fifth S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1225112
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; GaGeS4; Ga-Ge-S
OSTI Identifier:
1733449
DOI:
https://doi.org/10.17188/1733449

Citation Formats

The Materials Project. Materials Data on GaGeS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733449.
The Materials Project. Materials Data on GaGeS4 by Materials Project. United States. doi:https://doi.org/10.17188/1733449
The Materials Project. 2020. "Materials Data on GaGeS4 by Materials Project". United States. doi:https://doi.org/10.17188/1733449. https://www.osti.gov/servlets/purl/1733449. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1733449,
title = {Materials Data on GaGeS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge(Ga)S4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Ga3+ is bonded to four S+1.75- atoms to form GaS4 tetrahedra that share a cornercorner with one GaS4 tetrahedra and corners with three equivalent GeS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.28–2.31 Å. Ge4+ is bonded to four S+1.75- atoms to form GeS4 tetrahedra that share a cornercorner with one GeS4 tetrahedra and corners with three equivalent GaS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. There are five inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the second S+1.75- site, S+1.75- is bonded in a water-like geometry to two equivalent Ga3+ atoms. In the third S+1.75- site, S+1.75- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the fourth S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom. In the fifth S+1.75- site, S+1.75- is bonded in a water-like geometry to one Ga3+ and one Ge4+ atom.},
doi = {10.17188/1733449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}