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Title: Materials Data on Ni9S10 by Materials Project

Abstract

Ni9S10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ni+2.22+ sites. In the first Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Ni–S bond distances ranging from 2.27–2.50 Å. In the second Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Ni–S bond distances ranging from 2.29–2.49 Å. In the third Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Ni–S bond distances ranging from 2.26–2.47 Å. In the fourth Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Ni–S bond distances ranging from 2.31–2.37 Å. In the fifth Ni+2.22+ site, Ni+2.22+ is bonded to sixmore » S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ni–S bond distances ranging from 2.31–2.44 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ni+2.22+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ni+2.22+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Ni+2.22+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five Ni+2.22+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to six Ni+2.22+ atoms.« less

Publication Date:
Other Number(s):
mp-767469
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; Ni9S10; Ni-S
OSTI Identifier:
1297624
DOI:
10.17188/1297624

Citation Formats

The Materials Project. Materials Data on Ni9S10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297624.
The Materials Project. Materials Data on Ni9S10 by Materials Project. United States. doi:10.17188/1297624.
The Materials Project. 2020. "Materials Data on Ni9S10 by Materials Project". United States. doi:10.17188/1297624. https://www.osti.gov/servlets/purl/1297624. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1297624,
title = {Materials Data on Ni9S10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni9S10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ni+2.22+ sites. In the first Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Ni–S bond distances ranging from 2.27–2.50 Å. In the second Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Ni–S bond distances ranging from 2.29–2.49 Å. In the third Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Ni–S bond distances ranging from 2.26–2.47 Å. In the fourth Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–51°. There are a spread of Ni–S bond distances ranging from 2.31–2.37 Å. In the fifth Ni+2.22+ site, Ni+2.22+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing NiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–52°. There are a spread of Ni–S bond distances ranging from 2.31–2.44 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ni+2.22+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ni+2.22+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Ni+2.22+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five Ni+2.22+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to six Ni+2.22+ atoms.},
doi = {10.17188/1297624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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