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Title: Materials Data on Tm2TiO5 by Materials Project

Abstract

Tm2TiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.15–2.49 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (1.97 Å) and two longer (2.08 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tm3+ and one Ti4+ atom. In the third O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Ti4+ atoms to form distorted corner-sharing OTm2Ti2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-755948
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; Tm2TiO5; O-Ti-Tm
OSTI Identifier:
1290275
DOI:
https://doi.org/10.17188/1290275

Citation Formats

The Materials Project. Materials Data on Tm2TiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290275.
The Materials Project. Materials Data on Tm2TiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1290275
The Materials Project. 2020. "Materials Data on Tm2TiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1290275. https://www.osti.gov/servlets/purl/1290275. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1290275,
title = {Materials Data on Tm2TiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2TiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tm–O bond distances ranging from 2.15–2.49 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (1.97 Å) and two longer (2.08 Å) Ti–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tm3+ and one Ti4+ atom. In the third O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Ti4+ atoms to form distorted corner-sharing OTm2Ti2 trigonal pyramids.},
doi = {10.17188/1290275},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}