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Title: Materials Data on YbH2ClO2 by Materials Project

Abstract

YbH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two YbH2O2Cl sheets oriented in the (0, 0, 1) direction. Yb3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.53 Å. Both Yb–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 0.98 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 single-bond geometry to three equivalent Yb3+, one H1+, and one Cl1- atom. The O–Cl bond length is 2.43 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb3+ and one H1+ atom. Cl1- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one O2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1191250
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; YbH2ClO2; Cl-H-O-Yb
OSTI Identifier:
1738673
DOI:
https://doi.org/10.17188/1738673

Citation Formats

The Materials Project. Materials Data on YbH2ClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738673.
The Materials Project. Materials Data on YbH2ClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1738673
The Materials Project. 2020. "Materials Data on YbH2ClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1738673. https://www.osti.gov/servlets/purl/1738673. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738673,
title = {Materials Data on YbH2ClO2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbH2O2Cl crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two YbH2O2Cl sheets oriented in the (0, 0, 1) direction. Yb3+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Yb–O bond distances ranging from 2.31–2.53 Å. Both Yb–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 0.98 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 single-bond geometry to three equivalent Yb3+, one H1+, and one Cl1- atom. The O–Cl bond length is 2.43 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb3+ and one H1+ atom. Cl1- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one O2- atom.},
doi = {10.17188/1738673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}