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Title: Materials Data on La2TiCrO6 by Materials Project

Abstract

La2TiCrO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.43 Å) and six longer (2.80 Å) La–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ti–O bond lengths are 2.02 Å. Cr2+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Cr–O bond lengths are 2.01 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Cr2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1225793
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; La2TiCrO6; Cr-La-O-Ti
OSTI Identifier:
1698929
DOI:
https://doi.org/10.17188/1698929

Citation Formats

The Materials Project. Materials Data on La2TiCrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698929.
The Materials Project. Materials Data on La2TiCrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1698929
The Materials Project. 2020. "Materials Data on La2TiCrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1698929. https://www.osti.gov/servlets/purl/1698929. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1698929,
title = {Materials Data on La2TiCrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {La2TiCrO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.43 Å) and six longer (2.80 Å) La–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ti–O bond lengths are 2.02 Å. Cr2+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Cr–O bond lengths are 2.01 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Ti4+, and one Cr2+ atom.},
doi = {10.17188/1698929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}