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Title: Materials Data on InGa(CuTe2)2 by Materials Project

Abstract

InGa(CuTe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.60 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.58 Å. In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All In–Te bond lengths are 2.83 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded to two Cu1+, one In3+, and one Ga3+ atom to form corner-sharing TeInGaCu2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1224050
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; InGa(CuTe2)2; Cu-Ga-In-Te
OSTI Identifier:
1731753
DOI:
https://doi.org/10.17188/1731753

Citation Formats

The Materials Project. Materials Data on InGa(CuTe2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1731753.
The Materials Project. Materials Data on InGa(CuTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1731753
The Materials Project. 2019. "Materials Data on InGa(CuTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1731753. https://www.osti.gov/servlets/purl/1731753. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1731753,
title = {Materials Data on InGa(CuTe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {InGa(CuTe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.60 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.58 Å. In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All In–Te bond lengths are 2.83 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded to two Cu1+, one In3+, and one Ga3+ atom to form corner-sharing TeInGaCu2 tetrahedra.},
doi = {10.17188/1731753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}