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Title: Materials Data on YHO2 by Materials Project

Abstract

YHO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Y–O bond distances ranging from 2.22–2.42 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

Publication Date:
Other Number(s):
mp-756402
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; YHO2; H-O-Y
OSTI Identifier:
1290501
DOI:
10.17188/1290501

Citation Formats

The Materials Project. Materials Data on YHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290501.
The Materials Project. Materials Data on YHO2 by Materials Project. United States. doi:10.17188/1290501.
The Materials Project. 2020. "Materials Data on YHO2 by Materials Project". United States. doi:10.17188/1290501. https://www.osti.gov/servlets/purl/1290501. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1290501,
title = {Materials Data on YHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {YHO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Y–O bond distances ranging from 2.22–2.42 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.},
doi = {10.17188/1290501},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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