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Title: Materials Data on ZrNiH by Materials Project

Abstract

ZrNiH crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Ni and four equivalent H atoms. There are four shorter (2.72 Å) and two longer (2.76 Å) Zr–Ni bond lengths. There are two shorter (2.17 Å) and two longer (2.20 Å) Zr–H bond lengths. Ni is bonded in a 10-coordinate geometry to six equivalent Zr, two equivalent Ni, and two equivalent H atoms. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–H bond lengths are 2.23 Å. H is bonded in a 6-coordinate geometry to four equivalent Zr and two equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-1188036
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; ZrNiH; H-Ni-Zr
OSTI Identifier:
1753895
DOI:
https://doi.org/10.17188/1753895

Citation Formats

The Materials Project. Materials Data on ZrNiH by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753895.
The Materials Project. Materials Data on ZrNiH by Materials Project. United States. doi:https://doi.org/10.17188/1753895
The Materials Project. 2020. "Materials Data on ZrNiH by Materials Project". United States. doi:https://doi.org/10.17188/1753895. https://www.osti.gov/servlets/purl/1753895. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753895,
title = {Materials Data on ZrNiH by Materials Project},
author = {The Materials Project},
abstractNote = {ZrNiH crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Ni and four equivalent H atoms. There are four shorter (2.72 Å) and two longer (2.76 Å) Zr–Ni bond lengths. There are two shorter (2.17 Å) and two longer (2.20 Å) Zr–H bond lengths. Ni is bonded in a 10-coordinate geometry to six equivalent Zr, two equivalent Ni, and two equivalent H atoms. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–H bond lengths are 2.23 Å. H is bonded in a 6-coordinate geometry to four equivalent Zr and two equivalent Ni atoms.},
doi = {10.17188/1753895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}