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Title: Materials Data on SrCu2GeSe4 by Materials Project

Abstract

SrCu2GeSe4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.19–3.36 Å. Cu1+ is bonded to four Se2- atoms to form distorted CuSe4 tetrahedra that share corners with two equivalent CuSe4 tetrahedra, corners with four equivalent GeSe4 tetrahedra, and an edgeedge with one CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.49 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.41–2.43 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Cu1+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Cu1+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Cu1+, and one Ge4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-16179
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; SrCu2GeSe4; Cu-Ge-Se-Sr
OSTI Identifier:
1191619
DOI:
https://doi.org/10.17188/1191619

Citation Formats

The Materials Project. Materials Data on SrCu2GeSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191619.
The Materials Project. Materials Data on SrCu2GeSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1191619
The Materials Project. 2020. "Materials Data on SrCu2GeSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1191619. https://www.osti.gov/servlets/purl/1191619. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1191619,
title = {Materials Data on SrCu2GeSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCu2GeSe4 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.19–3.36 Å. Cu1+ is bonded to four Se2- atoms to form distorted CuSe4 tetrahedra that share corners with two equivalent CuSe4 tetrahedra, corners with four equivalent GeSe4 tetrahedra, and an edgeedge with one CuSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.43–2.49 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.41–2.43 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Cu1+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Cu1+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Cu1+, and one Ge4+ atom.},
doi = {10.17188/1191619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}