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Title: Materials Data on CaLa2TiO6 by Materials Project

Abstract

CaLa2TiO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ca–O bond lengths are 2.30 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.73 Å) La–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ti–O bond lengths are 1.99 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, and one Ti4+ atom.

Publication Date:
Other Number(s):
mvc-13624
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; CaLa2TiO6; Ca-La-O-Ti
OSTI Identifier:
1318934
DOI:
10.17188/1318934

Citation Formats

The Materials Project. Materials Data on CaLa2TiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318934.
The Materials Project. Materials Data on CaLa2TiO6 by Materials Project. United States. doi:10.17188/1318934.
The Materials Project. 2020. "Materials Data on CaLa2TiO6 by Materials Project". United States. doi:10.17188/1318934. https://www.osti.gov/servlets/purl/1318934. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318934,
title = {Materials Data on CaLa2TiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaLa2TiO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ca–O bond lengths are 2.30 Å. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.36 Å) and three longer (2.73 Å) La–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ti–O bond lengths are 1.99 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent La3+, and one Ti4+ atom.},
doi = {10.17188/1318934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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