Materials Data on Ni3S2 by Materials Project
Abstract
Ni3S2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded to four equivalent S2- atoms to form a mixture of distorted edge and corner-sharing NiS4 tetrahedra. There are a spread of Ni–S bond distances ranging from 2.20–2.52 Å. In the second Ni+1.33+ site, Ni+1.33+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing NiS4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.25 Å) Ni–S bond lengths. S2- is bonded in a 6-coordinate geometry to six Ni+1.33+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180543
- 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; Ni3S2; Ni-S
- OSTI Identifier:
- 1682913
- DOI:
- https://doi.org/10.17188/1682913
Citation Formats
The Materials Project. Materials Data on Ni3S2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1682913.
The Materials Project. Materials Data on Ni3S2 by Materials Project. United States. doi:https://doi.org/10.17188/1682913
The Materials Project. 2019.
"Materials Data on Ni3S2 by Materials Project". United States. doi:https://doi.org/10.17188/1682913. https://www.osti.gov/servlets/purl/1682913. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1682913,
title = {Materials Data on Ni3S2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni3S2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded to four equivalent S2- atoms to form a mixture of distorted edge and corner-sharing NiS4 tetrahedra. There are a spread of Ni–S bond distances ranging from 2.20–2.52 Å. In the second Ni+1.33+ site, Ni+1.33+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing NiS4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.25 Å) Ni–S bond lengths. S2- is bonded in a 6-coordinate geometry to six Ni+1.33+ atoms.},
doi = {10.17188/1682913},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}
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