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}
}