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Title: Materials Data on CdCu2GeSe4 by Materials Project

Abstract

Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.47 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.66–2.69 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.45 Å. There are four inequivalent Se2- sites.more » In the first Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the second Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the third Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the fourth Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra.« less

Publication Date:
Other Number(s):
mp-1226932
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; CdCu2GeSe4; Cd-Cu-Ge-Se
OSTI Identifier:
1729921
DOI:
https://doi.org/10.17188/1729921

Citation Formats

The Materials Project. Materials Data on CdCu2GeSe4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729921.
The Materials Project. Materials Data on CdCu2GeSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1729921
The Materials Project. 2019. "Materials Data on CdCu2GeSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1729921. https://www.osti.gov/servlets/purl/1729921. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1729921,
title = {Materials Data on CdCu2GeSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.47 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.66–2.69 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.45 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the second Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the third Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the fourth Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra.},
doi = {10.17188/1729921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}