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Title: Materials Data on LaTaTiO6 by Materials Project

Abstract

LaTaTiO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.85 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.85 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share edges with three equivalent TaO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.90–2.03 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share edges with three equivalent TiO6 octahedra. There are a spread of Ta–O bond distances ranging from 1.94–2.05 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, onemore » Ti4+, and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Ti4+, and one Ta5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom.« less

Publication Date:
Other Number(s):
mp-1222764
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; LaTaTiO6; La-O-Ta-Ti
OSTI Identifier:
1746986
DOI:
https://doi.org/10.17188/1746986

Citation Formats

The Materials Project. Materials Data on LaTaTiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746986.
The Materials Project. Materials Data on LaTaTiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1746986
The Materials Project. 2020. "Materials Data on LaTaTiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1746986. https://www.osti.gov/servlets/purl/1746986. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746986,
title = {Materials Data on LaTaTiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaTaTiO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.85 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.85 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share edges with three equivalent TaO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.90–2.03 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share edges with three equivalent TiO6 octahedra. There are a spread of Ta–O bond distances ranging from 1.94–2.05 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Ti4+, and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two La3+, one Ti4+, and one Ta5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ti4+, and one Ta5+ atom.},
doi = {10.17188/1746986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}