Materials Data on NiH6(SO6)2 by Materials Project

Abstract

Ni(HO)6(SO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide molecules and one Ni(HO)6 cluster. In the Ni(HO)6 cluster, Ni is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.76–2.26 Å. There are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ni and one H atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom. In the third O site, O is bonded in a distorted water-like geometry to one Ni and two H atoms.