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Title: Materials Data on Zn(InS2)2 by Materials Project

Abstract

ZnIn2S4 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 InS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–S bond lengths are 2.41 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.64 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms.

Publication Date:
Other Number(s):
mp-22052
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; Zn(InS2)2; In-S-Zn
OSTI Identifier:
1197318
DOI:
https://doi.org/10.17188/1197318

Citation Formats

The Materials Project. Materials Data on Zn(InS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197318.
The Materials Project. Materials Data on Zn(InS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197318
The Materials Project. 2020. "Materials Data on Zn(InS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197318. https://www.osti.gov/servlets/purl/1197318. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1197318,
title = {Materials Data on Zn(InS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnIn2S4 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 InS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–S bond lengths are 2.41 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent ZnS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.64 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms.},
doi = {10.17188/1197318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}