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Title: Materials Data on Cu2GeSe3 by Materials Project

Abstract

Cu2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.41–2.44 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten equivalent CuSe4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.54 Å) Ge–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing SeCu2Ge2 tetrahedra. In the second Se2- site, Se2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing SeCu3Ge tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4728
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; Cu2GeSe3; Cu-Ge-Se
OSTI Identifier:
1208358
DOI:
10.17188/1208358

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cu2GeSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208358.
Persson, Kristin, & Project, Materials. Materials Data on Cu2GeSe3 by Materials Project. United States. doi:10.17188/1208358.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cu2GeSe3 by Materials Project". United States. doi:10.17188/1208358. https://www.osti.gov/servlets/purl/1208358. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208358,
title = {Materials Data on Cu2GeSe3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cu2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.41–2.44 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten equivalent CuSe4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.54 Å) Ge–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing SeCu2Ge2 tetrahedra. In the second Se2- site, Se2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing SeCu3Ge tetrahedra.},
doi = {10.17188/1208358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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