Materials Data on NiH5CN(ClO)2 by Materials Project
NiCH(OCl)2NH4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four ammonium molecules and two NiCH(OCl)2 ribbons oriented in the (0, 0, 1) direction. In each NiCH(OCl)2 ribbon, Ni2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing NiCl4O2 octahedra. Both Ni–O bond lengths are 2.07 Å. All Ni–Cl bond lengths are 2.44 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a 2-coordinate geometry to one Ni2+ and one C2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Ni2+ atoms.