Materials Data on SbHC2O5 by Materials Project

Abstract

Sb(COO)2(OH) crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent C3+ sites. In the first C3+ site, C3+ 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. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.29 Å) C–O bond length. Sb3+ is bonded to six O2- atoms to form distorted corner-sharing SbO6 pentagonal pyramids. There are a spread of Sb–O bond distances ranging from 2.02–2.49 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one C3+ and one Sb3+ atom.