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Title: Materials Data on NiHO2 by Materials Project

Abstract

NiOOH crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.91–2.13 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.38 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ni3+ and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ni3+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-1067482
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; NiHO2; H-Ni-O
OSTI Identifier:
1684515
DOI:
https://doi.org/10.17188/1684515

Citation Formats

The Materials Project. Materials Data on NiHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684515.
The Materials Project. Materials Data on NiHO2 by Materials Project. United States. doi:https://doi.org/10.17188/1684515
The Materials Project. 2020. "Materials Data on NiHO2 by Materials Project". United States. doi:https://doi.org/10.17188/1684515. https://www.osti.gov/servlets/purl/1684515. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684515,
title = {Materials Data on NiHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiOOH crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ni3+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.91–2.13 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.38 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ni3+ and one H1+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ni3+ and one H1+ atom.},
doi = {10.17188/1684515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}