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Title: Materials Data on K2Ni3S4 by Materials Project

Abstract

K2Ni3S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.37–3.48 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Ni–S bond lengths. In the second Ni2+ site, Ni2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Ni–S bond lengths are 2.21 Å. S2- is bonded in a 3-coordinate geometry to four equivalent K1+ and three Ni2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-17228
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; K2Ni3S4; K-Ni-S
OSTI Identifier:
1192399
DOI:
https://doi.org/10.17188/1192399

Citation Formats

The Materials Project. Materials Data on K2Ni3S4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192399.
The Materials Project. Materials Data on K2Ni3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1192399
The Materials Project. 2020. "Materials Data on K2Ni3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1192399. https://www.osti.gov/servlets/purl/1192399. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192399,
title = {Materials Data on K2Ni3S4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Ni3S4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.37–3.48 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Ni–S bond lengths. In the second Ni2+ site, Ni2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Ni–S bond lengths are 2.21 Å. S2- is bonded in a 3-coordinate geometry to four equivalent K1+ and three Ni2+ atoms.},
doi = {10.17188/1192399},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}