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Title: Materials Data on Mg2NiH2 by Materials Project

Abstract

Mg2NiH2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four H atoms. There are a spread of Mg–H bond distances ranging from 2.22–2.24 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.54 Å. In the second Ni site, Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.53 Å. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids. In the second H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids.

Publication Date:
Other Number(s):
mp-1078818
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; Mg2NiH2; H-Mg-Ni
OSTI Identifier:
1687982
DOI:
https://doi.org/10.17188/1687982

Citation Formats

The Materials Project. Materials Data on Mg2NiH2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687982.
The Materials Project. Materials Data on Mg2NiH2 by Materials Project. United States. doi:https://doi.org/10.17188/1687982
The Materials Project. 2020. "Materials Data on Mg2NiH2 by Materials Project". United States. doi:https://doi.org/10.17188/1687982. https://www.osti.gov/servlets/purl/1687982. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687982,
title = {Materials Data on Mg2NiH2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2NiH2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four H atoms. There are a spread of Mg–H bond distances ranging from 2.22–2.24 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.54 Å. In the second Ni site, Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.53 Å. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids. In the second H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids.},
doi = {10.17188/1687982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}