DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ga2CuAgTe4 by Materials Project

Abstract

AgCuGa2Te4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Ag–Te bond lengths are 2.78 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Cu–Te bond lengths are 2.61 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 AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded to one Ag1+, one Cu1+, and two Ga3+ atoms to form corner-sharing TeGa2CuAg tetrahedra.

Publication Date:
Other Number(s):
mp-1224861
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; Ga2CuAgTe4; Ag-Cu-Ga-Te
OSTI Identifier:
1757684
DOI:
https://doi.org/10.17188/1757684

Citation Formats

The Materials Project. Materials Data on Ga2CuAgTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757684.
The Materials Project. Materials Data on Ga2CuAgTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1757684
The Materials Project. 2020. "Materials Data on Ga2CuAgTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1757684. https://www.osti.gov/servlets/purl/1757684. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757684,
title = {Materials Data on Ga2CuAgTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {AgCuGa2Te4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Ag–Te bond lengths are 2.78 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Cu–Te bond lengths are 2.61 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 AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded to one Ag1+, one Cu1+, and two Ga3+ atoms to form corner-sharing TeGa2CuAg tetrahedra.},
doi = {10.17188/1757684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}