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Title: Materials Data on Na2Ni(H7N3)2 by Materials Project

Abstract

Na2Ni(N3H7)2 crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two Na2Ni(N3H7)2 clusters. Na1+ is bonded in a 3-coordinate geometry to five N3- and two equivalent H1+ atoms. There are a spread of Na–N bond distances ranging from 2.45–2.60 Å. Both Na–H bond lengths are 2.51 Å. Ni2+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. All Ni–N bond lengths are 1.92 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Na1+, one Ni2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the fourth H1+ site, H1+ ismore » bonded in a single-bond geometry to one N3- atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-722891
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; Na2Ni(H7N3)2; H-N-Na-Ni
OSTI Identifier:
1287523
DOI:
10.17188/1287523

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2Ni(H7N3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287523.
Persson, Kristin, & Project, Materials. Materials Data on Na2Ni(H7N3)2 by Materials Project. United States. doi:10.17188/1287523.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2Ni(H7N3)2 by Materials Project". United States. doi:10.17188/1287523. https://www.osti.gov/servlets/purl/1287523. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287523,
title = {Materials Data on Na2Ni(H7N3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2Ni(N3H7)2 crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two Na2Ni(N3H7)2 clusters. Na1+ is bonded in a 3-coordinate geometry to five N3- and two equivalent H1+ atoms. There are a spread of Na–N bond distances ranging from 2.45–2.60 Å. Both Na–H bond lengths are 2.51 Å. Ni2+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. All Ni–N bond lengths are 1.92 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Na1+, one Ni2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1287523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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