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

Abstract

LiNd(WO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.53 Å) Li–O bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.49 Å) Nd–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Nd3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nd3+, and one W6+ atom.

Publication Date:
Other Number(s):
mp-1222323
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; LiNd(WO4)2; Li-Nd-O-W
OSTI Identifier:
1653177
DOI:
https://doi.org/10.17188/1653177

Citation Formats

The Materials Project. Materials Data on LiNd(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653177.
The Materials Project. Materials Data on LiNd(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1653177
The Materials Project. 2020. "Materials Data on LiNd(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1653177. https://www.osti.gov/servlets/purl/1653177. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1653177,
title = {Materials Data on LiNd(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiNd(WO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.47 Å) and four longer (2.53 Å) Li–O bond lengths. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.44 Å) and four longer (2.49 Å) Nd–O bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All W–O bond lengths are 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Nd3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Nd3+, and one W6+ atom.},
doi = {10.17188/1653177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}