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Title: Materials Data on Sr2FeCoO6 by Materials Project

Abstract

Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent FeO6 octahedra, and faces with four equivalent CoO6 octahedra. There are four shorter (2.72 Å) and eight longer (2.74 Å) Sr–O bond lengths. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent CoO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–O bond distances ranging from 1.92–1.94 Å. Co is bonded to six O atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent FeO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.91–1.98 Å. There are four inequivalent O sites. In the first O site, O is bonded to four equivalent Sr, one Fe, and one Co atom to form a mixture ofmore » distorted face, edge, and corner-sharing OSr4FeCo octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O site, O is bonded to four equivalent Sr, one Fe, and one Co atom to form a mixture of distorted face, edge, and corner-sharing OSr4FeCo octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the third O site, O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Fe atoms. In the fourth O site, O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1218833
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; Sr2FeCoO6; Co-Fe-O-Sr
OSTI Identifier:
1666860
DOI:
https://doi.org/10.17188/1666860

Citation Formats

The Materials Project. Materials Data on Sr2FeCoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666860.
The Materials Project. Materials Data on Sr2FeCoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1666860
The Materials Project. 2020. "Materials Data on Sr2FeCoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1666860. https://www.osti.gov/servlets/purl/1666860. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1666860,
title = {Materials Data on Sr2FeCoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent FeO6 octahedra, and faces with four equivalent CoO6 octahedra. There are four shorter (2.72 Å) and eight longer (2.74 Å) Sr–O bond lengths. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent CoO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–O bond distances ranging from 1.92–1.94 Å. Co is bonded to six O atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent FeO6 octahedra, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.91–1.98 Å. There are four inequivalent O sites. In the first O site, O is bonded to four equivalent Sr, one Fe, and one Co atom to form a mixture of distorted face, edge, and corner-sharing OSr4FeCo octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O site, O is bonded to four equivalent Sr, one Fe, and one Co atom to form a mixture of distorted face, edge, and corner-sharing OSr4FeCo octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the third O site, O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Fe atoms. In the fourth O site, O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Co atoms.},
doi = {10.17188/1666860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}