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Title: Materials Data on Mn(GaS2)2 by Materials Project

Abstract

MnGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.

Publication Date:
Other Number(s):
mp-20025
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; Mn(GaS2)2; Ga-Mn-S
OSTI Identifier:
1195197
DOI:
https://doi.org/10.17188/1195197

Citation Formats

The Materials Project. Materials Data on Mn(GaS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195197.
The Materials Project. Materials Data on Mn(GaS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1195197
The Materials Project. 2020. "Materials Data on Mn(GaS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1195197. https://www.osti.gov/servlets/purl/1195197. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195197,
title = {Materials Data on Mn(GaS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.},
doi = {10.17188/1195197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}