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Title: Materials Data on Ga(Bi3O5)4 by Materials Project

Abstract

Ga(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ga2+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Ga–O bond lengths are 1.89 Å. Bi+3.17+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one GaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.17+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms. In the third O2- site, O2- is bonded to one Ga2+ and three equivalent Bi+3.17+ atoms to form distorted corner-sharing OGaBi3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-28632
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; Ga(Bi3O5)4; Bi-Ga-O
OSTI Identifier:
1202720
DOI:
https://doi.org/10.17188/1202720

Citation Formats

The Materials Project. Materials Data on Ga(Bi3O5)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202720.
The Materials Project. Materials Data on Ga(Bi3O5)4 by Materials Project. United States. doi:https://doi.org/10.17188/1202720
The Materials Project. 2020. "Materials Data on Ga(Bi3O5)4 by Materials Project". United States. doi:https://doi.org/10.17188/1202720. https://www.osti.gov/servlets/purl/1202720. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1202720,
title = {Materials Data on Ga(Bi3O5)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga(Bi3O5)4 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ga2+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with twelve equivalent BiO5 square pyramids. All Ga–O bond lengths are 1.89 Å. Bi+3.17+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with eight equivalent BiO5 square pyramids, a cornercorner with one GaO4 tetrahedra, and an edgeedge with one BiO5 square pyramid. There are a spread of Bi–O bond distances ranging from 2.11–2.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+3.17+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+3.17+ atoms. In the third O2- site, O2- is bonded to one Ga2+ and three equivalent Bi+3.17+ atoms to form distorted corner-sharing OGaBi3 tetrahedra.},
doi = {10.17188/1202720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}