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Title: Materials Data on CaLaO3 by Materials Project

Abstract

CaLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form distorted CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent LaO6 octahedra. All Ca–O bond lengths are 3.19 Å. La is bonded to six equivalent O atoms to form LaO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.25 Å. O is bonded in a linear geometry to four equivalent Ca and two equivalent La atoms.

Publication Date:
Other Number(s):
mp-1183562
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; CaLaO3; Ca-La-O
OSTI Identifier:
1685561
DOI:
https://doi.org/10.17188/1685561

Citation Formats

The Materials Project. Materials Data on CaLaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685561.
The Materials Project. Materials Data on CaLaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1685561
The Materials Project. 2020. "Materials Data on CaLaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1685561. https://www.osti.gov/servlets/purl/1685561. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685561,
title = {Materials Data on CaLaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form distorted CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent LaO6 octahedra. All Ca–O bond lengths are 3.19 Å. La is bonded to six equivalent O atoms to form LaO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.25 Å. O is bonded in a linear geometry to four equivalent Ca and two equivalent La atoms.},
doi = {10.17188/1685561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}