U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiH48C16S8(NO7)2 by Materials Project
Abstract
Ni(SO)6(CH3)16(NO3)2(SO)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of sixteen methane molecules, two nitric acid molecules, two sulfur monoxide molecules, and one Ni(SO)6 cluster. In the Ni(SO)6 cluster, Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 2.08–2.10 Å. There are three inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to one O atom. The S–O bond length is 1.53 Å. In the second S site, S is bonded in a distorted single-bond geometry to one O atom. The S–O bond length is 1.54 Å. In the third S site, S is bonded in a distorted single-bond geometry to one O atom. The S–O bond length is 1.53 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Nimore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-744812
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; NiH48C16S8(NO7)2; C-H-N-Ni-O-S
- OSTI Identifier:
- 1281981
- DOI:
- https://doi.org/10.17188/1281981
Citation Formats
The Materials Project. Materials Data on NiH48C16S8(NO7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281981.
The Materials Project. Materials Data on NiH48C16S8(NO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1281981
The Materials Project. 2020.
"Materials Data on NiH48C16S8(NO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1281981. https://www.osti.gov/servlets/purl/1281981. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1281981,
title = {Materials Data on NiH48C16S8(NO7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(SO)6(CH3)16(NO3)2(SO)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of sixteen methane molecules, two nitric acid molecules, two sulfur monoxide molecules, and one Ni(SO)6 cluster. In the Ni(SO)6 cluster, Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 2.08–2.10 Å. There are three inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to one O atom. The S–O bond length is 1.53 Å. In the second S site, S is bonded in a distorted single-bond geometry to one O atom. The S–O bond length is 1.54 Å. In the third S site, S is bonded in a distorted single-bond geometry to one O atom. The S–O bond length is 1.53 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom.},
doi = {10.17188/1281981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}