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Title: Materials Data on Lu(HO)3 by Materials Project

Abstract

Lu(OH)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.23 Å) and four longer (2.24 Å) Lu–O bond lengths. In the second Lu3+ site, Lu3+ is bonded to six equivalent O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Lu–O bond lengths are 2.23 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Lu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-625392
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; Lu(HO)3; H-Lu-O
OSTI Identifier:
1278370
DOI:
10.17188/1278370

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Lu(HO)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278370.
Persson, Kristin, & Project, Materials. Materials Data on Lu(HO)3 by Materials Project. United States. doi:10.17188/1278370.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Lu(HO)3 by Materials Project". United States. doi:10.17188/1278370. https://www.osti.gov/servlets/purl/1278370. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1278370,
title = {Materials Data on Lu(HO)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Lu(OH)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two shorter (2.23 Å) and four longer (2.24 Å) Lu–O bond lengths. In the second Lu3+ site, Lu3+ is bonded to six equivalent O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Lu–O bond lengths are 2.23 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Lu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Lu3+ and one H1+ atom.},
doi = {10.17188/1278370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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