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Title: Materials Data on Tm2WO6 by Materials Project

Abstract

Tm2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.52 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.21–2.40 Å. In the third Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.44 Å. W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.88–2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Tm3+ and one W6+ atom to form a mixture of edge and corner-sharing OTm3W tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Tm3+ and one W6+ atom. In the third O2- site, O2- is bonded to three Tm3+ and one W6+ atom to form distorted corner-sharing OTm3W tetrahedra. Inmore » the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Tm3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Tm3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Tm3+ and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-778814
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; Tm2WO6; O-Tm-W
OSTI Identifier:
1305800
DOI:
10.17188/1305800

Citation Formats

The Materials Project. Materials Data on Tm2WO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305800.
The Materials Project. Materials Data on Tm2WO6 by Materials Project. United States. doi:10.17188/1305800.
The Materials Project. 2020. "Materials Data on Tm2WO6 by Materials Project". United States. doi:10.17188/1305800. https://www.osti.gov/servlets/purl/1305800. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1305800,
title = {Materials Data on Tm2WO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2WO6 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.52 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.21–2.40 Å. In the third Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.44 Å. W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.88–2.08 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Tm3+ and one W6+ atom to form a mixture of edge and corner-sharing OTm3W tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Tm3+ and one W6+ atom. In the third O2- site, O2- is bonded to three Tm3+ and one W6+ atom to form distorted corner-sharing OTm3W tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Tm3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Tm3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Tm3+ and one W6+ atom.},
doi = {10.17188/1305800},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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