Materials Data on SnH7C3NO5F by Materials Project

Abstract

CH3NH2SnC2O4FH2O crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two methylammonium molecules; two water molecules; and two SnC2O4F ribbons oriented in the (1, 0, 0) direction. In each SnC2O4F ribbon, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Sn–O bond distances ranging from 2.21–2.66 Å. The Sn–F bond length is 2.11 Å. There are two inequivalent C+1.67+ sites. In the first C+1.67+ site, C+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the second C+1.67+ site, C+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one C+1.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Sn2+ and one C+1.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn2+ and one C+1.67+ atom. F1- is bonded in a distorted single-bond geometry to one Sn2+ atom.