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Title: Materials Data on Ga2BiSe4 by Materials Project

Abstract

Ga2BiSe4 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded to four equivalent Se2- atoms to form edge-sharing GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga+2.50+ site, Ga+2.50+ is bonded to four equivalent Se2- atoms to form edge-sharing GaSe4 tetrahedra. All Ga–Se bond lengths are 2.45 Å. Bi3+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. All Bi–Se bond lengths are 3.00 Å. Se2- is bonded in a 3-coordinate geometry to two Ga+2.50+ and one Bi3+ atom.

Publication Date:
Other Number(s):
mp-571085
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; Ga2BiSe4; Bi-Ga-Se
OSTI Identifier:
1276082
DOI:
https://doi.org/10.17188/1276082

Citation Formats

The Materials Project. Materials Data on Ga2BiSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276082.
The Materials Project. Materials Data on Ga2BiSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1276082
The Materials Project. 2020. "Materials Data on Ga2BiSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1276082. https://www.osti.gov/servlets/purl/1276082. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1276082,
title = {Materials Data on Ga2BiSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga2BiSe4 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded to four equivalent Se2- atoms to form edge-sharing GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga+2.50+ site, Ga+2.50+ is bonded to four equivalent Se2- atoms to form edge-sharing GaSe4 tetrahedra. All Ga–Se bond lengths are 2.45 Å. Bi3+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. All Bi–Se bond lengths are 3.00 Å. Se2- is bonded in a 3-coordinate geometry to two Ga+2.50+ and one Bi3+ atom.},
doi = {10.17188/1276082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}