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Title: Materials Data on Mn2FeSbO6 by Materials Project

Abstract

Mn2FeSbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.17–2.80 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Fe–O bond distances ranging from 2.02–2.09 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are four shorter (2.01 Å) and two longer (2.03 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mn2+, one Fe3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn2+, one Fe3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two equivalent Mn2+, one Fe3+, and one Sb5+ atom to form distorted corner-sharing OMn2FeSb tetrahedra.

Publication Date:
Other Number(s):
mp-1189105
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; Mn2FeSbO6; Fe-Mn-O-Sb
OSTI Identifier:
1751155
DOI:
https://doi.org/10.17188/1751155

Citation Formats

The Materials Project. Materials Data on Mn2FeSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751155.
The Materials Project. Materials Data on Mn2FeSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1751155
The Materials Project. 2020. "Materials Data on Mn2FeSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1751155. https://www.osti.gov/servlets/purl/1751155. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751155,
title = {Materials Data on Mn2FeSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2FeSbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mn–O bond distances ranging from 2.17–2.80 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Fe–O bond distances ranging from 2.02–2.09 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are four shorter (2.01 Å) and two longer (2.03 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mn2+, one Fe3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn2+, one Fe3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two equivalent Mn2+, one Fe3+, and one Sb5+ atom to form distorted corner-sharing OMn2FeSb tetrahedra.},
doi = {10.17188/1751155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}