Materials Data on B12S by Materials Project
SB12 is Modderite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 6-coordinate geometry to five B+0.50- and one S6+ atom. There is four shorter (1.74 Å) and one longer (1.78 Å) B–B bond length. The B–S bond length is 2.37 Å. In the second B+0.50- site, B+0.50- is bonded in a 6-coordinate geometry to six B+0.50- atoms. There is one shorter (1.68 Å) and two longer (1.85 Å) B–B bond length. S6+ is bonded in an octahedral geometry to six equivalent B+0.50- atoms.
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