Materials Data on SnHC2O3 by Materials Project

Abstract

SnC2HO3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one SnC2HO3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.47 Å. In the second Sn4+ site, Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.15 Å) and two longer (2.58 Å) Sn–O bond lengths. There are two inequivalent C+0.50+ sites. In the first C+0.50+ site, C+0.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C+0.50+ site, C+0.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C+0.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+, one C+0.50+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two equivalent H1+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Sn4+ atoms.