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Title: Materials Data on Ag2GeSe3 by Materials Project

Abstract

Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.65–2.71 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 AgSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SeAg3Ge tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SeAg2Ge2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1096802
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; Ag2GeSe3; Ag-Ge-Se
OSTI Identifier:
1681234
DOI:
https://doi.org/10.17188/1681234

Citation Formats

The Materials Project. Materials Data on Ag2GeSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681234.
The Materials Project. Materials Data on Ag2GeSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1681234
The Materials Project. 2020. "Materials Data on Ag2GeSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1681234. https://www.osti.gov/servlets/purl/1681234. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681234,
title = {Materials Data on Ag2GeSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.65–2.71 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 AgSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SeAg3Ge tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SeAg2Ge2 tetrahedra.},
doi = {10.17188/1681234},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}