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

Abstract

ZnGa2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent GaS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.36 Å. Ga3+ is bonded to six equivalent S2- atoms to form GaS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent GaS6 octahedra. All Ga–S bond lengths are 2.47 Å. S2- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SZnGa3 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1094002
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; Zn(GaS2)2; Ga-S-Zn
OSTI Identifier:
1685088
DOI:
https://doi.org/10.17188/1685088

Citation Formats

The Materials Project. Materials Data on Zn(GaS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685088.
The Materials Project. Materials Data on Zn(GaS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685088
The Materials Project. 2020. "Materials Data on Zn(GaS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685088. https://www.osti.gov/servlets/purl/1685088. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685088,
title = {Materials Data on Zn(GaS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnGa2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with twelve equivalent GaS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–S bond lengths are 2.36 Å. Ga3+ is bonded to six equivalent S2- atoms to form GaS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent GaS6 octahedra. All Ga–S bond lengths are 2.47 Å. S2- is bonded to one Zn2+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SZnGa3 trigonal pyramids.},
doi = {10.17188/1685088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}