Materials Data on Rb2PH6(SO)3 by Materials Project
Rb2PH6(SO)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to one H1+, five S2-, and two O2- atoms. The Rb–H bond length is 3.03 Å. There are a spread of Rb–S bond distances ranging from 3.34–3.61 Å. There are one shorter (2.88 Å) and one longer (2.93 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to two H1+, seven S2-, and one O2- atom. There are one shorter (3.13 Å) and one longer (3.24 Å) Rb–H bond lengths. There are a spread of Rb–S bond distances ranging from 3.49–3.92 Å. The Rb–O bond length is 3.12 Å. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.03 Å) and one longer (2.04 Å) P–S bond lengths. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one O2- atom. The H–O bond length is 1.00 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to four Rb1+ and one P4+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to four Rb1+ and one P4+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to four Rb1+ and one P4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Rb1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Rb1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Rb1+ and two H1+ atoms.