Materials Data on CoH2Cl2O by Materials Project

Abstract

CoH2OCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two CoH2OCl2 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded to one O2- and five Cl1- atoms to form edge-sharing CoCl5O octahedra. The Co–O bond length is 2.03 Å. There are a spread of Co–Cl bond distances ranging from 2.45–2.51 Å. There are two 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. O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three equivalent Co2+ atoms.