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Title: Materials Data on Cu2GeTe3 by Materials Project

Abstract

Ge1Cu2Te3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent GeTe4 tetrahedra and corners with seven equivalent CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.57–2.59 Å. Ge4+ is bonded to four Te2- atoms to form GeTe4 tetrahedra that share corners with two equivalent GeTe4 tetrahedra and corners with ten equivalent CuTe4 tetrahedra. There are two shorter (2.65 Å) and two longer (2.74 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing TeCu2Ge2 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing TeCu3Ge tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-12806
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; Cu2GeTe3; Cu-Ge-Te
OSTI Identifier:
1189208
DOI:
10.17188/1189208

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cu2GeTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189208.
Persson, Kristin, & Project, Materials. Materials Data on Cu2GeTe3 by Materials Project. United States. doi:10.17188/1189208.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cu2GeTe3 by Materials Project". United States. doi:10.17188/1189208. https://www.osti.gov/servlets/purl/1189208. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1189208,
title = {Materials Data on Cu2GeTe3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ge1Cu2Te3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent GeTe4 tetrahedra and corners with seven equivalent CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.57–2.59 Å. Ge4+ is bonded to four Te2- atoms to form GeTe4 tetrahedra that share corners with two equivalent GeTe4 tetrahedra and corners with ten equivalent CuTe4 tetrahedra. There are two shorter (2.65 Å) and two longer (2.74 Å) Ge–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing TeCu2Ge2 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing TeCu3Ge tetrahedra.},
doi = {10.17188/1189208},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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