Materials Data on Ni(H3Cl)2 by Materials Project

Abstract

Ni(H3Cl)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Ni(H3Cl)2 ribbons oriented in the (-1, 0, 1) direction. Ni2+ is bonded in a hexagonal planar geometry to four equivalent H and two equivalent Cl1- atoms. All Ni–H bond lengths are 1.61 Å. Both Ni–Cl bond lengths are 2.15 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 1-coordinate geometry to one Ni2+ and one H atom. The H–H bond length is 0.83 Å. In the second H site, H is bonded in a bent 150 degrees geometry to one H and one Cl1- atom. The H–H bond length is 0.75 Å. The H–Cl bond length is 2.61 Å. Cl1- is bonded in a 2-coordinate geometry to one Ni2+ and one H atom.