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Title: Materials Data on BaLaMnInO6 by Materials Project

Abstract

BaLaMnInO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent InO6 octahedra. All Ba–O bond lengths are 2.87 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent InO6 octahedra. All La–O bond lengths are 2.87 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent InO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.93 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent MnO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–O bond lengthsmore » are 2.13 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, one Mn4+, and one In3+ atom.« less

Publication Date:
Other Number(s):
mp-1227886
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; BaLaMnInO6; Ba-In-La-Mn-O
OSTI Identifier:
1722426
DOI:
https://doi.org/10.17188/1722426

Citation Formats

The Materials Project. Materials Data on BaLaMnInO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722426.
The Materials Project. Materials Data on BaLaMnInO6 by Materials Project. United States. doi:https://doi.org/10.17188/1722426
The Materials Project. 2020. "Materials Data on BaLaMnInO6 by Materials Project". United States. doi:https://doi.org/10.17188/1722426. https://www.osti.gov/servlets/purl/1722426. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722426,
title = {Materials Data on BaLaMnInO6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaLaMnInO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent InO6 octahedra. All Ba–O bond lengths are 2.87 Å. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent InO6 octahedra. All La–O bond lengths are 2.87 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent InO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 1.93 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent MnO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–O bond lengths are 2.13 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent La3+, one Mn4+, and one In3+ atom.},
doi = {10.17188/1722426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}