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Title: Materials Data on Ga(Ag3Se2)3 by Materials Project

Abstract

Ag9GaSe6 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.61–2.76 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.68–3.33 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.72–3.29 Å. Ga3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.40 Å) and three longer (2.43 Å) Ga–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 9-coordinate geometry to nine Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one Ga3+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ag1+more » and one Ga3+ atom.« less

Publication Date:
Other Number(s):
mp-27163
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; Ga(Ag3Se2)3; Ag-Ga-Se
OSTI Identifier:
1201376
DOI:
https://doi.org/10.17188/1201376

Citation Formats

The Materials Project. Materials Data on Ga(Ag3Se2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201376.
The Materials Project. Materials Data on Ga(Ag3Se2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1201376
The Materials Project. 2020. "Materials Data on Ga(Ag3Se2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1201376. https://www.osti.gov/servlets/purl/1201376. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1201376,
title = {Materials Data on Ga(Ag3Se2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag9GaSe6 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.61–2.76 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.68–3.33 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.72–3.29 Å. Ga3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.40 Å) and three longer (2.43 Å) Ga–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 9-coordinate geometry to nine Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one Ga3+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ag1+ and one Ga3+ atom.},
doi = {10.17188/1201376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}