Materials Data on Rb4Te2H3(S2O3)4 by Materials Project
Rb4H3(SO3)4(Te)2(S)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of sixteen hydrogen sulfide molecules, eight tellurium molecules, and one Rb4H3(SO3)4 framework. In the Rb4H3(SO3)4 framework, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to one H1+ and six O2- atoms. The Rb–H bond length is 3.17 Å. There are a spread of Rb–O bond distances ranging from 2.89–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to two H1+ and six O2- atoms. There are one shorter (3.09 Å) and one longer (3.15 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.84–3.39 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Rb1+ atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Rb1+ atoms. There are two inequivalent S+1.12+ sites. In the first S+1.12+ site, S+1.12+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.48 Å. In the second S+1.12+ site, S+1.12+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.47 Å) and two longer (1.48 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S+1.12+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+1.12+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S+1.12+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S+1.12+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S+1.12+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S+1.12+ atom.