Title: Materials Data on MgNiH2 by Materials Project

Abstract

MgNiH2.0 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Mg–H bond lengths are 2.26 Å. Ni is bonded in a square co-planar geometry to four equivalent H atoms. All Ni–H bond lengths are 1.66 Å. H is bonded to four equivalent Mg and two equivalent Ni atoms to form a mixture of corner, edge, and face-sharing HMg4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

Publication Date:
Other Number(s):
mp-1017509
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; H-Mg-Ni; MgNiH2
OSTI Identifier:
1349843
DOI:
https://doi.org/10.17188/1349843

Citation Formats

Materials Data on MgNiH2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349843.
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Materials Data on MgNiH2 by Materials Project. United States. doi:https://doi.org/10.17188/1349843
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2020. "Materials Data on MgNiH2 by Materials Project". United States. doi:https://doi.org/10.17188/1349843. https://www.osti.gov/servlets/purl/1349843. Pub date:Sat May 02 20:00:00 EDT 2020
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@article{osti_1349843,
title = {Materials Data on MgNiH2 by Materials Project},
abstractNote = {MgNiH2.0 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Mg–H bond lengths are 2.26 Å. Ni is bonded in a square co-planar geometry to four equivalent H atoms. All Ni–H bond lengths are 1.66 Å. H is bonded to four equivalent Mg and two equivalent Ni atoms to form a mixture of corner, edge, and face-sharing HMg4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–63°.},
doi = {10.17188/1349843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1349843
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