Materials Data on RbBiAs6H24C8(S6N)2 by Materials Project

Abstract

RbBi(AsS2)6(N(CH3)4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of six tetramethylammonium molecules and one RbBi(AsS2)6 framework. In the RbBi(AsS2)6 framework, Rb1+ is bonded in a hexagonal planar geometry to six equivalent S2- atoms. All Rb–S bond lengths are 3.50 Å. Bi3+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Bi–S bond lengths are 2.87 Å. As3- is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.22 Å) and two longer (2.35 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent As3- atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Bi3+ and one As3- atom.