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DOE OSTI · 1269493

Materials Data on Ga2BiS4 by Materials Project

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Abstract

Ga2BiS4 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded to four equivalent S2- atoms to form edge-sharing GaS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. In the second Ga+2.50+ site, Ga+2.50+ is bonded to four equivalent S2- atoms to form edge-sharing GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. Bi3+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.86 Å. S2- is bonded in a 3-coordinate geometry to two Ga+2.50+ and one Bi3+ atom.

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36 MATERIALS SCIENCEBi-Ga-Scrystal structureGa2BiS4

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2020-07-22. Materials Data on Ga2BiS4 by Materials Project. https://doi.org/10.17188/1269493

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36 MATERIALS SCIENCE↗