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Title: Materials Data on Fe2BiSbO7 by Materials Project

Abstract

Fe2BiSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Fe–O bond distances ranging from 2.22–2.70 Å. In the second Fe3+ site, Fe3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Fe–O bond distances ranging from 2.30–2.62 Å. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with two equivalent BiO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–59°. There are four shorter (2.12 Å) and two longer (2.15 Å) Bi–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–52°. There is two shorter (1.94 Å) and four longer (1.99 Å) Sb–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Fe3+ and two equivalent Sb5+more » atoms. In the second O2- site, O2- is bonded to two equivalent Fe3+ and two equivalent Bi3+ atoms to form OFe2Bi2 tetrahedra that share corners with six OFe2Bi2 tetrahedra and an edgeedge with one OFe4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Fe3+, one Bi3+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four Fe3+ atoms to form a mixture of edge and corner-sharing OFe4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1224738
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; Fe2BiSbO7; Bi-Fe-O-Sb
OSTI Identifier:
1679388
DOI:
https://doi.org/10.17188/1679388

Citation Formats

The Materials Project. Materials Data on Fe2BiSbO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679388.
The Materials Project. Materials Data on Fe2BiSbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1679388
The Materials Project. 2020. "Materials Data on Fe2BiSbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1679388. https://www.osti.gov/servlets/purl/1679388. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1679388,
title = {Materials Data on Fe2BiSbO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2BiSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Fe–O bond distances ranging from 2.22–2.70 Å. In the second Fe3+ site, Fe3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Fe–O bond distances ranging from 2.30–2.62 Å. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with two equivalent BiO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–59°. There are four shorter (2.12 Å) and two longer (2.15 Å) Bi–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–52°. There is two shorter (1.94 Å) and four longer (1.99 Å) Sb–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Fe3+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded to two equivalent Fe3+ and two equivalent Bi3+ atoms to form OFe2Bi2 tetrahedra that share corners with six OFe2Bi2 tetrahedra and an edgeedge with one OFe4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Fe3+, one Bi3+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded to four Fe3+ atoms to form a mixture of edge and corner-sharing OFe4 tetrahedra.},
doi = {10.17188/1679388},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}