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Title: Materials Data on LiHo(SO4)2 by Materials Project

Abstract

LiHo(SO4)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.87 Å. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.41 Å) Ho–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.52 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ho3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ho3+ and one S6+ atom.

Publication Date:
Other Number(s):
mp-1210949
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; LiHo(SO4)2; Ho-Li-O-S
OSTI Identifier:
1738354
DOI:
10.17188/1738354

Citation Formats

The Materials Project. Materials Data on LiHo(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738354.
The Materials Project. Materials Data on LiHo(SO4)2 by Materials Project. United States. doi:10.17188/1738354.
The Materials Project. 2020. "Materials Data on LiHo(SO4)2 by Materials Project". United States. doi:10.17188/1738354. https://www.osti.gov/servlets/purl/1738354. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738354,
title = {Materials Data on LiHo(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiHo(SO4)2 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.87 Å. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.41 Å) Ho–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.48 Å) and two longer (1.52 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ho3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ho3+ and one S6+ atom.},
doi = {10.17188/1738354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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