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Title: Materials Data on Cs2Ni3S4 by Materials Project

Abstract

Cs2Ni3S4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to seven S2- atoms to form distorted edge-sharing CsS7 hexagonal pyramids. There are six shorter (3.55 Å) and one longer (3.77 Å) Cs–S bond lengths. Ni2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.21 Å) and two longer (2.22 Å) Ni–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three equivalent Ni2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Cs1+ and three equivalent Ni2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28486
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; Cs2Ni3S4; Cs-Ni-S
OSTI Identifier:
1202583
DOI:
https://doi.org/10.17188/1202583

Citation Formats

The Materials Project. Materials Data on Cs2Ni3S4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202583.
The Materials Project. Materials Data on Cs2Ni3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1202583
The Materials Project. 2020. "Materials Data on Cs2Ni3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1202583. https://www.osti.gov/servlets/purl/1202583. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1202583,
title = {Materials Data on Cs2Ni3S4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Ni3S4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to seven S2- atoms to form distorted edge-sharing CsS7 hexagonal pyramids. There are six shorter (3.55 Å) and one longer (3.77 Å) Cs–S bond lengths. Ni2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.21 Å) and two longer (2.22 Å) Ni–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three equivalent Ni2+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Cs1+ and three equivalent Ni2+ atoms.},
doi = {10.17188/1202583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}