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Title: Materials Data on TmHO2 by Materials Project

Abstract

TmOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Tm–O bond distances ranging from 2.18–2.37 Å. 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 three equivalent Tm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Tm3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-754004
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; TmHO2; H-O-Tm
OSTI Identifier:
1289211
DOI:
https://doi.org/10.17188/1289211

Citation Formats

The Materials Project. Materials Data on TmHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289211.
The Materials Project. Materials Data on TmHO2 by Materials Project. United States. doi:https://doi.org/10.17188/1289211
The Materials Project. 2020. "Materials Data on TmHO2 by Materials Project". United States. doi:https://doi.org/10.17188/1289211. https://www.osti.gov/servlets/purl/1289211. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1289211,
title = {Materials Data on TmHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {TmOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Tm–O bond distances ranging from 2.18–2.37 Å. 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 three equivalent Tm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Tm3+ atoms.},
doi = {10.17188/1289211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}