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Title: Materials Data on Cd(GaTe2)2 by Materials Project

Abstract

CdGa2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Cd–Te bond lengths are 2.87 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Ga3+ atoms.

Publication Date:
Other Number(s):
mp-13949
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; Cd(GaTe2)2; Cd-Ga-Te
OSTI Identifier:
1189836
DOI:
https://doi.org/10.17188/1189836

Citation Formats

The Materials Project. Materials Data on Cd(GaTe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189836.
The Materials Project. Materials Data on Cd(GaTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1189836
The Materials Project. 2020. "Materials Data on Cd(GaTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1189836. https://www.osti.gov/servlets/purl/1189836. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189836,
title = {Materials Data on Cd(GaTe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdGa2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Cd–Te bond lengths are 2.87 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Ga3+ atoms.},
doi = {10.17188/1189836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}