Materials Data on Ni3S2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1207143· OSTI ID:1207143

The Materials Project

Ni3S2 is Hazelwoodite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ni+1.33+ is bonded to four equivalent S2- atoms to form a mixture of distorted edge and corner-sharing NiS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.28 Å) Ni–S bond lengths. S2- is bonded in a 6-coordinate geometry to six equivalent Ni+1.33+ atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1207143
• Report Number(s): mp-362
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ni3S2
Ni-S