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Title: Materials Data on Sm(ClO)3 by Materials Project

Abstract

SmOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two SmOCl3 sheets oriented in the (0, 0, 1) direction. In each SmOCl3 sheet, Sm is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.34 Å) and one longer (2.46 Å) Sm–O bond lengths. There are a spread of Sm–Cl bond distances ranging from 2.61–2.86 Å. O is bonded in a linear geometry to two equivalent Sm atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Sm atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Sm atom.

Authors:
Publication Date:
Other Number(s):
mp-1209705
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; Sm(ClO)3; Cl-O-Sm
OSTI Identifier:
1680336
DOI:
https://doi.org/10.17188/1680336

Citation Formats

The Materials Project. Materials Data on Sm(ClO)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680336.
The Materials Project. Materials Data on Sm(ClO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1680336
The Materials Project. 2020. "Materials Data on Sm(ClO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1680336. https://www.osti.gov/servlets/purl/1680336. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1680336,
title = {Materials Data on Sm(ClO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two SmOCl3 sheets oriented in the (0, 0, 1) direction. In each SmOCl3 sheet, Sm is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.34 Å) and one longer (2.46 Å) Sm–O bond lengths. There are a spread of Sm–Cl bond distances ranging from 2.61–2.86 Å. O is bonded in a linear geometry to two equivalent Sm atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Sm atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Sm atom.},
doi = {10.17188/1680336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}