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Title: Materials Data on BaLa2O4 by Materials Project

Abstract

BaLa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form BaO4 tetrahedra that share corners with twelve equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ba–O bond lengths are 2.62 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent BaO4 tetrahedra and edges with six equivalent LaO6 octahedra. There are two shorter (2.45 Å) and four longer (2.46 Å) La–O bond lengths. O2- is bonded to one Ba2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OBaLa3 tetrahedra.

Publication Date:
Other Number(s):
mp-755558
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; BaLa2O4; Ba-La-O
OSTI Identifier:
1290084
DOI:
10.17188/1290084

Citation Formats

The Materials Project. Materials Data on BaLa2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290084.
The Materials Project. Materials Data on BaLa2O4 by Materials Project. United States. doi:10.17188/1290084.
The Materials Project. 2020. "Materials Data on BaLa2O4 by Materials Project". United States. doi:10.17188/1290084. https://www.osti.gov/servlets/purl/1290084. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1290084,
title = {Materials Data on BaLa2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaLa2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form BaO4 tetrahedra that share corners with twelve equivalent LaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ba–O bond lengths are 2.62 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent BaO4 tetrahedra and edges with six equivalent LaO6 octahedra. There are two shorter (2.45 Å) and four longer (2.46 Å) La–O bond lengths. O2- is bonded to one Ba2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OBaLa3 tetrahedra.},
doi = {10.17188/1290084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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