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

Abstract

DyTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.29–2.32 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.90–3.13 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 Dy3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+, two equivalent W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Dy3+, one W6+, and one Tl1+ atom.

Publication Date:
Other Number(s):
mp-1212931
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; DyTl(WO4)2; Dy-O-Tl-W
OSTI Identifier:
1676781
DOI:
https://doi.org/10.17188/1676781

Citation Formats

The Materials Project. Materials Data on DyTl(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676781.
The Materials Project. Materials Data on DyTl(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676781
The Materials Project. 2020. "Materials Data on DyTl(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676781. https://www.osti.gov/servlets/purl/1676781. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676781,
title = {Materials Data on DyTl(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {DyTl(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.29–2.32 Å. W6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.90–3.13 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 Dy3+, one W6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+, two equivalent W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Dy3+, one W6+, and one Tl1+ atom.},
doi = {10.17188/1676781},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}