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Title: Materials Data on Sr2NbFeO6 by Materials Project

Abstract

Sr2NbFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent FeO6 octahedra. All Sr–O bond lengths are 2.85 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Nb5+, and one Fe3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1218741
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; Sr2NbFeO6; Fe-Nb-O-Sr
OSTI Identifier:
1684082
DOI:
https://doi.org/10.17188/1684082

Citation Formats

The Materials Project. Materials Data on Sr2NbFeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684082.
The Materials Project. Materials Data on Sr2NbFeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1684082
The Materials Project. 2020. "Materials Data on Sr2NbFeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1684082. https://www.osti.gov/servlets/purl/1684082. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1684082,
title = {Materials Data on Sr2NbFeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2NbFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent NbO6 octahedra, and faces with four equivalent FeO6 octahedra. All Sr–O bond lengths are 2.85 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Nb5+, and one Fe3+ atom.},
doi = {10.17188/1684082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}