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Title: Materials Data on BaLaMgTaO6 by Materials Project

Abstract

BaLaMgTaO6 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 MgO6 octahedra, and faces with four equivalent TaO6 octahedra. All Ba–O bond lengths are 2.87 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent TaO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.07 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 MgO6 octahedra, and faces with four equivalent TaO6 octahedra. All La–O bond lengths are 2.87 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent MgO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengthsmore » are 2.00 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, one Mg2+, two equivalent La3+, and one Ta5+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-40251
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; BaLaMgTaO6; Ba-La-Mg-O-Ta
OSTI Identifier:
1207776
DOI:
10.17188/1207776

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaLaMgTaO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207776.
Persson, Kristin, & Project, Materials. Materials Data on BaLaMgTaO6 by Materials Project. United States. doi:10.17188/1207776.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaLaMgTaO6 by Materials Project". United States. doi:10.17188/1207776. https://www.osti.gov/servlets/purl/1207776. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1207776,
title = {Materials Data on BaLaMgTaO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaLaMgTaO6 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 MgO6 octahedra, and faces with four equivalent TaO6 octahedra. All Ba–O bond lengths are 2.87 Å. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent TaO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.07 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 MgO6 octahedra, and faces with four equivalent TaO6 octahedra. All La–O bond lengths are 2.87 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent MgO6 octahedra, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to two equivalent Ba2+, one Mg2+, two equivalent La3+, and one Ta5+ atom.},
doi = {10.17188/1207776},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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