DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

LaTl(WO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.84–2.28 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.33 Å. Tl1+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.67–3.18 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two W6+ and one Tl1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded to one La3+ andmore » three W6+ atoms to form distorted edge-sharing OLaW3 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+, one W6+, and two equivalent Tl1+ atoms.« less

Publication Date:
Other Number(s):
mp-1211739
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; LaTl(WO4)2; La-O-Tl-W
OSTI Identifier:
1651754
DOI:
https://doi.org/10.17188/1651754

Citation Formats

The Materials Project. Materials Data on LaTl(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651754.
The Materials Project. Materials Data on LaTl(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1651754
The Materials Project. 2020. "Materials Data on LaTl(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1651754. https://www.osti.gov/servlets/purl/1651754. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1651754,
title = {Materials Data on LaTl(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LaTl(WO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.41 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.84–2.28 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.79–2.33 Å. Tl1+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.67–3.18 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two W6+ and one Tl1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one W6+ and one Tl1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one W6+, and one Tl1+ atom. In the fourth O2- site, O2- is bonded to one La3+ and three W6+ atoms to form distorted edge-sharing OLaW3 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+, one W6+, and two equivalent Tl1+ atoms.},
doi = {10.17188/1651754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}