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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210949
- 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; LiHo(SO4)2; Ho-Li-O-S
- OSTI Identifier:
- 1738354
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1738354
The Materials Project. 2020.
"Materials Data on LiHo(SO4)2 by Materials Project". United States. doi:https://doi.org/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 = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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