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Title: Materials Data on Al2Fe2Bi2O9 by Materials Project

Abstract

Fe2Al2Bi2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent AlO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Fe–O bond distances ranging from 1.86–1.92 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent FeO4 tetrahedra and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.90–1.98 Å. Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–3.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+, one Al3+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Al3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bondedmore » in a linear geometry to two equivalent Fe3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1229040
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; Al2Fe2Bi2O9; Al-Bi-Fe-O
OSTI Identifier:
1753296
DOI:
https://doi.org/10.17188/1753296

Citation Formats

The Materials Project. Materials Data on Al2Fe2Bi2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753296.
The Materials Project. Materials Data on Al2Fe2Bi2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1753296
The Materials Project. 2020. "Materials Data on Al2Fe2Bi2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1753296. https://www.osti.gov/servlets/purl/1753296. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753296,
title = {Materials Data on Al2Fe2Bi2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2Al2Bi2O9 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent AlO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are a spread of Fe–O bond distances ranging from 1.86–1.92 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent FeO4 tetrahedra and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.90–1.98 Å. Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–3.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+, one Al3+, and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Al3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ atoms.},
doi = {10.17188/1753296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}