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Title: Materials Data on NiH10C2(N2O3)2 by Materials Project

Abstract

NiC2H10(N2O3)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two NiC2H10(N2O3)2 sheets oriented in the (0, 0, 1) direction. Ni2+ is bonded in an octahedral geometry to two equivalent N2- and four O2- atoms. Both Ni–N bond lengths are 2.08 Å. There are two shorter (2.04 Å) and two longer (2.17 Å) Ni–O bond lengths. C4+ is bonded in a trigonal planar geometry to one N2- and two O2- atoms. The C–N bond length is 1.37 Å. Both C–O bond lengths are 1.28 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 2-coordinate geometry to one C4+, one N2-, and one H1+ atom. The N–N bond length is 1.41 Å. The N–H bond length is 1.02 Å. In the second N2- site, N2- is bonded in a distorted water-like geometry to one Ni2+, one N2-, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In themore » third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.69 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms.« less

Publication Date:
Other Number(s):
mp-745158
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; NiH10C2(N2O3)2; C-H-N-Ni-O
OSTI Identifier:
1288413
DOI:
https://doi.org/10.17188/1288413

Citation Formats

The Materials Project. Materials Data on NiH10C2(N2O3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288413.
The Materials Project. Materials Data on NiH10C2(N2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1288413
The Materials Project. 2020. "Materials Data on NiH10C2(N2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1288413. https://www.osti.gov/servlets/purl/1288413. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1288413,
title = {Materials Data on NiH10C2(N2O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiC2H10(N2O3)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two NiC2H10(N2O3)2 sheets oriented in the (0, 0, 1) direction. Ni2+ is bonded in an octahedral geometry to two equivalent N2- and four O2- atoms. Both Ni–N bond lengths are 2.08 Å. There are two shorter (2.04 Å) and two longer (2.17 Å) Ni–O bond lengths. C4+ is bonded in a trigonal planar geometry to one N2- and two O2- atoms. The C–N bond length is 1.37 Å. Both C–O bond lengths are 1.28 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 2-coordinate geometry to one C4+, one N2-, and one H1+ atom. The N–N bond length is 1.41 Å. The N–H bond length is 1.02 Å. In the second N2- site, N2- is bonded in a distorted water-like geometry to one Ni2+, one N2-, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.69 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms.},
doi = {10.17188/1288413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}