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Title: Materials Data on TmH2ClO2 by Materials Project

Abstract

TmH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two TmH2O2Cl sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.39 Å. Both Tm–Cl bond lengths are 2.82 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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 single-bond geometry to three equivalent Tm3+ and one H1+ atom. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Tm3+ atoms.

Publication Date:
Other Number(s):
mp-1190688
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; TmH2ClO2; Cl-H-O-Tm
OSTI Identifier:
1665650
DOI:
https://doi.org/10.17188/1665650

Citation Formats

The Materials Project. Materials Data on TmH2ClO2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1665650.
The Materials Project. Materials Data on TmH2ClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1665650
The Materials Project. 2019. "Materials Data on TmH2ClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1665650. https://www.osti.gov/servlets/purl/1665650. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1665650,
title = {Materials Data on TmH2ClO2 by Materials Project},
author = {The Materials Project},
abstractNote = {TmH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two TmH2O2Cl sheets oriented in the (0, 0, 1) direction. Tm3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Tm–O bond distances ranging from 2.29–2.39 Å. Both Tm–Cl bond lengths are 2.82 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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 single-bond geometry to three equivalent Tm3+ and one H1+ atom. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Tm3+ atoms.},
doi = {10.17188/1665650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}