skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NiH3 by Materials Project

Abstract

NiH3 is Chromium trichloride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four NiH3 ribbons oriented in the (0, 0, 1) direction. Ni1+ is bonded in a 6-coordinate geometry to six H+0.33- atoms. All Ni–H bond lengths are 1.62 Å. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms. In the second H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1314374
Report Number(s):
mp-973963
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; NiH3; H-Ni

Citation Formats

The Materials Project. Materials Data on NiH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314374.
The Materials Project. Materials Data on NiH3 by Materials Project. United States. https://doi.org/10.17188/1314374
The Materials Project. 2020. "Materials Data on NiH3 by Materials Project". United States. https://doi.org/10.17188/1314374. https://www.osti.gov/servlets/purl/1314374.
@article{osti_1314374,
title = {Materials Data on NiH3 by Materials Project},
author = {The Materials Project},
abstractNote = {NiH3 is Chromium trichloride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four NiH3 ribbons oriented in the (0, 0, 1) direction. Ni1+ is bonded in a 6-coordinate geometry to six H+0.33- atoms. All Ni–H bond lengths are 1.62 Å. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms. In the second H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms.},
doi = {10.17188/1314374},
url = {https://www.osti.gov/biblio/1314374}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}