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Title: Materials Data on Tm2MgTiO6 by Materials Project

Abstract

MgTm2TiO6 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 36–41°. There are a spread of Mg–O bond distances ranging from 2.07–2.11 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.19–2.83 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 36–41°. There are a spread of Ti–O bond distances ranging from 1.96–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent Tm3+, and one Ti4+ atom to form distorted corner-sharing OTm2MgTi trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1207960
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; Tm2MgTiO6; Mg-O-Ti-Tm
OSTI Identifier:
1733189
DOI:
https://doi.org/10.17188/1733189

Citation Formats

The Materials Project. Materials Data on Tm2MgTiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733189.
The Materials Project. Materials Data on Tm2MgTiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1733189
The Materials Project. 2020. "Materials Data on Tm2MgTiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1733189. https://www.osti.gov/servlets/purl/1733189. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1733189,
title = {Materials Data on Tm2MgTiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {MgTm2TiO6 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 36–41°. There are a spread of Mg–O bond distances ranging from 2.07–2.11 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.19–2.83 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 36–41°. There are a spread of Ti–O bond distances ranging from 1.96–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent Tm3+, and one Ti4+ atom to form distorted corner-sharing OTm2MgTi trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom.},
doi = {10.17188/1733189},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}