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

Abstract

LiLa(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.42 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.66 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 1.83–2.17 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 1.80–2.29 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one La3+, and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one La3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bentmore » 150 degrees geometry to one La3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three W6+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one La3+, and one W6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two W6+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1210919
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; LiLa(WO4)2; La-Li-O-W
OSTI Identifier:
1687016
DOI:
https://doi.org/10.17188/1687016

Citation Formats

The Materials Project. Materials Data on LiLa(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687016.
The Materials Project. Materials Data on LiLa(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1687016
The Materials Project. 2020. "Materials Data on LiLa(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1687016. https://www.osti.gov/servlets/purl/1687016. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687016,
title = {Materials Data on LiLa(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLa(WO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.42 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.66 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 1.83–2.17 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 1.80–2.29 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one La3+, and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one La3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and three W6+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one La3+, and one W6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two W6+ atoms.},
doi = {10.17188/1687016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}