Materials Data on NiS2 by Materials Project
Abstract
NiS2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NiS2 sheet oriented in the (-1, 0, 1) direction. Ni4+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.18 Å) and two longer (2.19 Å) Ni–S bond lengths. S2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ni4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1180046
- 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; NiS2; Ni-S
- OSTI Identifier:
- 1758260
- DOI:
- https://doi.org/10.17188/1758260
Citation Formats
The Materials Project. Materials Data on NiS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758260.
The Materials Project. Materials Data on NiS2 by Materials Project. United States. doi:https://doi.org/10.17188/1758260
The Materials Project. 2020.
"Materials Data on NiS2 by Materials Project". United States. doi:https://doi.org/10.17188/1758260. https://www.osti.gov/servlets/purl/1758260. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758260,
title = {Materials Data on NiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {NiS2 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NiS2 sheet oriented in the (-1, 0, 1) direction. Ni4+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.18 Å) and two longer (2.19 Å) Ni–S bond lengths. S2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ni4+ atoms.},
doi = {10.17188/1758260},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.