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Title: Materials Data on LaTi2O6 by Materials Project

Abstract

LaTi2O6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra and faces with eight equivalent TiO6 octahedra. There are a spread of La–O bond distances ranging from 2.65–2.85 Å. Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–7°. There is two shorter (1.94 Å) and four longer (1.95 Å) Ti–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to two equivalent La and two equivalent Ti atoms. In the second O site, O is bonded in a distorted linear geometry to two equivalent La and two equivalent Ti atoms.

Authors:
Publication Date:
Other Number(s):
mp-1222737
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; LaTi2O6; La-O-Ti
OSTI Identifier:
1698634
DOI:
https://doi.org/10.17188/1698634

Citation Formats

The Materials Project. Materials Data on LaTi2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698634.
The Materials Project. Materials Data on LaTi2O6 by Materials Project. United States. doi:https://doi.org/10.17188/1698634
The Materials Project. 2020. "Materials Data on LaTi2O6 by Materials Project". United States. doi:https://doi.org/10.17188/1698634. https://www.osti.gov/servlets/purl/1698634. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1698634,
title = {Materials Data on LaTi2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaTi2O6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra and faces with eight equivalent TiO6 octahedra. There are a spread of La–O bond distances ranging from 2.65–2.85 Å. Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–7°. There is two shorter (1.94 Å) and four longer (1.95 Å) Ti–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to two equivalent La and two equivalent Ti atoms. In the second O site, O is bonded in a distorted linear geometry to two equivalent La and two equivalent Ti atoms.},
doi = {10.17188/1698634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}