skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmH2ClO2 by Materials Project

Abstract

SmH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SmH2O2Cl sheets oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.47 Å. Both Sm–Cl bond lengths are 2.95 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 0.97 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 Sm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Sm3+ and one H1+ atom. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Sm3+ atoms.

Publication Date:
Other Number(s):
mp-757145
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; SmH2ClO2; Cl-H-O-Sm
OSTI Identifier:
1290718
DOI:
https://doi.org/10.17188/1290718

Citation Formats

The Materials Project. Materials Data on SmH2ClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290718.
The Materials Project. Materials Data on SmH2ClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1290718
The Materials Project. 2020. "Materials Data on SmH2ClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1290718. https://www.osti.gov/servlets/purl/1290718. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1290718,
title = {Materials Data on SmH2ClO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SmH2O2Cl sheets oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.47 Å. Both Sm–Cl bond lengths are 2.95 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 0.97 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 Sm3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Sm3+ and one H1+ atom. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Sm3+ atoms.},
doi = {10.17188/1290718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}