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Title: Materials Data on TmHO2 by Materials Project

Abstract

TmOOH crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of Tm–O bond distances ranging from 2.18–2.36 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Tm3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OTm3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tm3+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768422
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; TmHO2; H-O-Tm
OSTI Identifier:
1298415
DOI:
10.17188/1298415

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TmHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298415.
Persson, Kristin, & Project, Materials. Materials Data on TmHO2 by Materials Project. United States. doi:10.17188/1298415.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TmHO2 by Materials Project". United States. doi:10.17188/1298415. https://www.osti.gov/servlets/purl/1298415. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1298415,
title = {Materials Data on TmHO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TmOOH crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of Tm–O bond distances ranging from 2.18–2.36 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Tm3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OTm3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tm3+ and one H1+ atom.},
doi = {10.17188/1298415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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