Materials Data on KNaH6PtC4N4O3 by Materials Project
KNaPtC4N4H6O3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to four N3- and two O2- atoms. There are a spread of K–N bond distances ranging from 2.87–2.92 Å. There are one shorter (2.77 Å) and one longer (3.08 Å) K–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to two N3- and three O2- atoms. There are one shorter (2.41 Å) and one longer (2.54 Å) Na–N bond lengths. There are one shorter (2.40 Å) and two longer (2.45 Å) Na–O bond lengths. Pt2+ is bonded in a distorted rectangular see-saw-like geometry to four C2+ atoms. All Pt–C bond lengths are 1.99 Å. There are four inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.17 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one K1+ and one C2+ atom. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to one K1+, one Na1+, and one C2+ atom. There are six inequivalent H1+ sites. In the first 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 second 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 third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 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 O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Na1+, and two H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one K1+ and two H1+ atoms.