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DOE OSTI · 1270956

Materials Data on Ni3(BiS)2 by Materials Project

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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.

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36 MATERIALS SCIENCEBi-Ni-Scrystal structureNi3(BiS)2

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2020-07-20. Materials Data on Ni3(BiS)2 by Materials Project. https://doi.org/10.17188/1270956

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