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Title: Materials Data on HoHO2 by Materials Project

Abstract

HoOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Ho–O bond distances ranging from 2.21–2.39 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ho3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Ho3+ and one H1+ atom to form distorted corner-sharing OHo3H tetrahedra.

Publication Date:
Other Number(s):
mp-755543
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; HoHO2; H-Ho-O
OSTI Identifier:
1290049
DOI:
10.17188/1290049

Citation Formats

The Materials Project. Materials Data on HoHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290049.
The Materials Project. Materials Data on HoHO2 by Materials Project. United States. doi:10.17188/1290049.
The Materials Project. 2020. "Materials Data on HoHO2 by Materials Project". United States. doi:10.17188/1290049. https://www.osti.gov/servlets/purl/1290049. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1290049,
title = {Materials Data on HoHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {HoOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Ho–O bond distances ranging from 2.21–2.39 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ho3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Ho3+ and one H1+ atom to form distorted corner-sharing OHo3H tetrahedra.},
doi = {10.17188/1290049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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