Materials Data on Cs2PtC4(IN2)2 by Materials Project

Abstract

Cs2PtC4(N2I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to six N3- and three equivalent I1- atoms. There are a spread of Cs–N bond distances ranging from 3.31–3.65 Å. There are a spread of Cs–I bond distances ranging from 4.14–4.21 Å. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent I1- atoms. There are two shorter (2.01 Å) and two longer (2.02 Å) Pt–C bond lengths. Both Pt–I bond lengths are 2.73 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one C+3.50+ atom. I1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Pt2- atom.