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Title: Materials Data on InHO2 by Materials Project

Abstract

InOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of In–O bond distances ranging from 2.17–2.28 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.51 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent In3+ and one H1+ atom to form distorted corner-sharing OIn3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent In3+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504535
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; InHO2; H-In-O
OSTI Identifier:
1261762
DOI:
10.17188/1261762

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on InHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261762.
Persson, Kristin, & Project, Materials. Materials Data on InHO2 by Materials Project. United States. doi:10.17188/1261762.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on InHO2 by Materials Project". United States. doi:10.17188/1261762. https://www.osti.gov/servlets/purl/1261762. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1261762,
title = {Materials Data on InHO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {InOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of In–O bond distances ranging from 2.17–2.28 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.51 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent In3+ and one H1+ atom to form distorted corner-sharing OIn3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent In3+ and one H1+ atom.},
doi = {10.17188/1261762},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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