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Title: Materials Data on LuTl(WO4)2 by Materials Project

Abstract

LuTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Lu–O bond distances ranging from 2.22–2.27 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of W–O bond distances ranging from 1.84–2.14 Å. Tl1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.84–3.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+, two equivalent W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Lu3+, one W6+, and one Tl1+ atom.

Publication Date:
Other Number(s):
mp-1210736
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; LuTl(WO4)2; Lu-O-Tl-W
OSTI Identifier:
1680258
DOI:
https://doi.org/10.17188/1680258

Citation Formats

The Materials Project. Materials Data on LuTl(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680258.
The Materials Project. Materials Data on LuTl(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680258
The Materials Project. 2020. "Materials Data on LuTl(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680258. https://www.osti.gov/servlets/purl/1680258. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1680258,
title = {Materials Data on LuTl(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LuTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Lu–O bond distances ranging from 2.22–2.27 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of W–O bond distances ranging from 1.84–2.14 Å. Tl1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.84–3.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+, two equivalent W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Lu3+, one W6+, and one Tl1+ atom.},
doi = {10.17188/1680258},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}