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Title: Materials Data on La2MgTiO6 by Materials Project

Abstract

MgLa2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. All Mg–O bond lengths are 2.10 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.81 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There is four shorter (1.98 Å) and two longer (1.99 Å) Ti–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent La3+, and one Ti4+ atom to form distorted corner-sharing OLa2MgTi tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent La3+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent La3+, and one Ti4+ atom.

Publication Date:
Other Number(s):
mp-6457
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; La2MgTiO6; La-Mg-O-Ti
OSTI Identifier:
1272616
DOI:
10.17188/1272616

Citation Formats

The Materials Project. Materials Data on La2MgTiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272616.
The Materials Project. Materials Data on La2MgTiO6 by Materials Project. United States. doi:10.17188/1272616.
The Materials Project. 2020. "Materials Data on La2MgTiO6 by Materials Project". United States. doi:10.17188/1272616. https://www.osti.gov/servlets/purl/1272616. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1272616,
title = {Materials Data on La2MgTiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {MgLa2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. All Mg–O bond lengths are 2.10 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.81 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There is four shorter (1.98 Å) and two longer (1.99 Å) Ti–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent La3+, and one Ti4+ atom to form distorted corner-sharing OLa2MgTi tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent La3+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent La3+, and one Ti4+ atom.},
doi = {10.17188/1272616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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