Materials Data on K3H3PtS2Br2O7 by Materials Project
K3PtH3S2O7(Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight hydrobromic acid molecules and one K3PtH3S2O7 framework. In the K3PtH3S2O7 framework, there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.37 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.31 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.77–2.96 Å. Pt2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) Pt–S bond lengths. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.25 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.55 Å. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and three O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.57 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one H1+, and one S2- atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to two K1+, one H1+, and one S2- atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2- atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S2- atom.