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Title: Materials Data on Zn(GaSe2)2 by Materials Project

Abstract

ZnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Zn–Se bond lengths are 2.50 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Ga3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-15776
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(GaSe2)2; Ga-Se-Zn
OSTI Identifier:
1191362
DOI:
10.17188/1191362

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zn(GaSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191362.
Persson, Kristin, & Project, Materials. Materials Data on Zn(GaSe2)2 by Materials Project. United States. doi:10.17188/1191362.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zn(GaSe2)2 by Materials Project". United States. doi:10.17188/1191362. https://www.osti.gov/servlets/purl/1191362. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191362,
title = {Materials Data on Zn(GaSe2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZnGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Zn–Se bond lengths are 2.50 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Ga3+ atoms.},
doi = {10.17188/1191362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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