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Title: Materials Data on Zn(InSe2)2 by Materials Project

Abstract

ZnIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–Se bond lengths are 2.54 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.78 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1001017
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(InSe2)2; In-Se-Zn
OSTI Identifier:
1271389
DOI:
https://doi.org/10.17188/1271389

Citation Formats

The Materials Project. Materials Data on Zn(InSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271389.
The Materials Project. Materials Data on Zn(InSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271389
The Materials Project. 2020. "Materials Data on Zn(InSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271389. https://www.osti.gov/servlets/purl/1271389. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1271389,
title = {Materials Data on Zn(InSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnIn2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–Se bond lengths are 2.54 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent ZnSe4 tetrahedra and edges with six equivalent InSe6 octahedra. All In–Se bond lengths are 2.78 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms.},
doi = {10.17188/1271389},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}