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Title: Materials Data on Tm(ClO2)3 by Materials Project

Abstract

Tm(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Tm(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Tm is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Tm–O bond distances ranging from 2.08–2.68 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Tm and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Tm and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Tm and one Cl atom. The O–Cl bond length is 1.63 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.

Authors:
Publication Date:
Other Number(s):
mp-1208200
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; Tm(ClO2)3; Cl-O-Tm
OSTI Identifier:
1672654
DOI:
https://doi.org/10.17188/1672654

Citation Formats

The Materials Project. Materials Data on Tm(ClO2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672654.
The Materials Project. Materials Data on Tm(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1672654
The Materials Project. 2019. "Materials Data on Tm(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1672654. https://www.osti.gov/servlets/purl/1672654. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672654,
title = {Materials Data on Tm(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Tm(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Tm is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Tm–O bond distances ranging from 2.08–2.68 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Tm and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Tm and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Tm and one Cl atom. The O–Cl bond length is 1.63 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.},
doi = {10.17188/1672654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}