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

Abstract

CdGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Cd–Se bond lengths are 2.69 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 CdSe4 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 CdSe4 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 Cd2+ and two Ga3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-3772
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; Cd(GaSe2)2; Cd-Ga-Se
OSTI Identifier:
1207402
DOI:
https://doi.org/10.17188/1207402

Citation Formats

The Materials Project. Materials Data on Cd(GaSe2)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1207402.
The Materials Project. Materials Data on Cd(GaSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1207402
The Materials Project. 2017. "Materials Data on Cd(GaSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1207402. https://www.osti.gov/servlets/purl/1207402. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1207402,
title = {Materials Data on Cd(GaSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Cd–Se bond lengths are 2.69 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 CdSe4 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 CdSe4 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 Cd2+ and two Ga3+ atoms.},
doi = {10.17188/1207402},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed May 10 00:00:00 EDT 2017},
month = {Wed May 10 00:00:00 EDT 2017}
}