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Title: Materials Data on Ni3(BiS)2 by Materials Project

Abstract

Ni3Bi2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni is bonded in a distorted linear geometry to four Bi and two equivalent S atoms. There are two shorter (2.77 Å) and two longer (2.91 Å) Ni–Bi bond lengths. Both Ni–S bond lengths are 2.18 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six equivalent Ni and two equivalent S atoms to form corner-sharing BiNi6S2 hexagonal bipyramids. Both Bi–S bond lengths are 3.03 Å. In the second Bi site, Bi is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. S is bonded in a 4-coordinate geometry to three equivalent Ni and one Bi atom.

Publication Date:
Other Number(s):
mp-559634
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; Ni3(BiS)2; Bi-Ni-S
OSTI Identifier:
1270956
DOI:
https://doi.org/10.17188/1270956

Citation Formats

The Materials Project. Materials Data on Ni3(BiS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270956.
The Materials Project. Materials Data on Ni3(BiS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1270956
The Materials Project. 2020. "Materials Data on Ni3(BiS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1270956. https://www.osti.gov/servlets/purl/1270956. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1270956,
title = {Materials Data on Ni3(BiS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni3Bi2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni is bonded in a distorted linear geometry to four Bi and two equivalent S atoms. There are two shorter (2.77 Å) and two longer (2.91 Å) Ni–Bi bond lengths. Both Ni–S bond lengths are 2.18 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six equivalent Ni and two equivalent S atoms to form corner-sharing BiNi6S2 hexagonal bipyramids. Both Bi–S bond lengths are 3.03 Å. In the second Bi site, Bi is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. S is bonded in a 4-coordinate geometry to three equivalent Ni and one Bi atom.},
doi = {10.17188/1270956},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}