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Title: Materials Data on TmTaO4 by Materials Project

Abstract

TmTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.54 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–33°. There are a spread of Ta–O bond distances ranging from 1.88–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to three equivalent Tm3+ and one Ta5+ atom to form corner-sharing OTm3Ta tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-768176
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; TmTaO4; O-Ta-Tm
OSTI Identifier:
1298250
DOI:
https://doi.org/10.17188/1298250

Citation Formats

The Materials Project. Materials Data on TmTaO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298250.
The Materials Project. Materials Data on TmTaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1298250
The Materials Project. 2020. "Materials Data on TmTaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1298250. https://www.osti.gov/servlets/purl/1298250. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1298250,
title = {Materials Data on TmTaO4 by Materials Project},
author = {The Materials Project},
abstractNote = {TmTaO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.54 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–33°. There are a spread of Ta–O bond distances ranging from 1.88–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tm3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded to three equivalent Tm3+ and one Ta5+ atom to form corner-sharing OTm3Ta tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tm3+ and one Ta5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms.},
doi = {10.17188/1298250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}