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Title: Materials Data on BaLa(FeO3)2 by Materials Project

Abstract

BaLa(FeO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Ba–O bond lengths are 2.81 Å. La is bonded to twelve equivalent O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All La–O bond lengths are 2.81 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.99 Å. O is bonded to two equivalent Ba, two equivalent La, and two equivalent Fe atoms to form a mixture of distorted edge, corner, and face-sharing OBa2La2Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:
Publication Date:
Other Number(s):
mp-1227910
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; BaLa(FeO3)2; Ba-Fe-La-O
OSTI Identifier:
1740711
DOI:
https://doi.org/10.17188/1740711

Citation Formats

The Materials Project. Materials Data on BaLa(FeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740711.
The Materials Project. Materials Data on BaLa(FeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740711
The Materials Project. 2020. "Materials Data on BaLa(FeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740711. https://www.osti.gov/servlets/purl/1740711. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740711,
title = {Materials Data on BaLa(FeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaLa(FeO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Ba–O bond lengths are 2.81 Å. La is bonded to twelve equivalent O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All La–O bond lengths are 2.81 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 1.99 Å. O is bonded to two equivalent Ba, two equivalent La, and two equivalent Fe atoms to form a mixture of distorted edge, corner, and face-sharing OBa2La2Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1740711},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}