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Title: Materials Data on Ga2Fe2Bi2O9 by Materials Project

Abstract

Bi2Fe2Ga2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent GaO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Ga–O bond distances ranging from 1.83–1.89 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Ga3+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry tomore » two equivalent Fe3+ and one Ga3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-649039
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; Ga2Fe2Bi2O9; Bi-Fe-Ga-O
OSTI Identifier:
1280849
DOI:
10.17188/1280849

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ga2Fe2Bi2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280849.
Persson, Kristin, & Project, Materials. Materials Data on Ga2Fe2Bi2O9 by Materials Project. United States. doi:10.17188/1280849.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ga2Fe2Bi2O9 by Materials Project". United States. doi:10.17188/1280849. https://www.osti.gov/servlets/purl/1280849. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280849,
title = {Materials Data on Ga2Fe2Bi2O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Bi2Fe2Ga2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four equivalent GaO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.00 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Ga–O bond distances ranging from 1.83–1.89 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Ga3+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ga3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Fe3+ and one Ga3+ atom.},
doi = {10.17188/1280849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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