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Title: Materials Data on GaCuTe2 by Materials Project

Abstract

CuGaTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with six equivalent GaTe6 octahedra, edges with six equivalent CuTe6 octahedra, and edges with six equivalent GaTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Cu–Te bond lengths are 2.79 Å. Ga3+ is bonded to six equivalent Te2- atoms to form GaTe6 octahedra that share corners with six equivalent CuTe6 octahedra, edges with six equivalent CuTe6 octahedra, and edges with six equivalent GaTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ga–Te bond lengths are 2.92 Å. Te2- is bonded to three equivalent Cu1+ and three equivalent Ga3+ atoms to form a mixture of edge and corner-sharing TeGa3Cu3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1224815
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; GaCuTe2; Cu-Ga-Te
OSTI Identifier:
1743266
DOI:
https://doi.org/10.17188/1743266

Citation Formats

The Materials Project. Materials Data on GaCuTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743266.
The Materials Project. Materials Data on GaCuTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1743266
The Materials Project. 2020. "Materials Data on GaCuTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1743266. https://www.osti.gov/servlets/purl/1743266. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1743266,
title = {Materials Data on GaCuTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuGaTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with six equivalent GaTe6 octahedra, edges with six equivalent CuTe6 octahedra, and edges with six equivalent GaTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Cu–Te bond lengths are 2.79 Å. Ga3+ is bonded to six equivalent Te2- atoms to form GaTe6 octahedra that share corners with six equivalent CuTe6 octahedra, edges with six equivalent CuTe6 octahedra, and edges with six equivalent GaTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ga–Te bond lengths are 2.92 Å. Te2- is bonded to three equivalent Cu1+ and three equivalent Ga3+ atoms to form a mixture of edge and corner-sharing TeGa3Cu3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1743266},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}