Materials Data on NiSO9 by Materials Project

Abstract

NiSO9 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one NiSO9 ribbon oriented in the (0, 1, 0) direction. Ni is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Ni–O bond distances ranging from 1.94–2.18 Å. S is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.48–1.88 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to one Ni, one S, and one O atom. The O–O bond length is 1.38 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Ni and one O atom. The O–O bond length is 1.29 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Ni and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the fifth O site, O is bonded in a water-like geometry to two O atoms. The O–O bond length is 1.77 Å. In the sixth O site, O is bonded in a water-like geometry to two O atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one S and one O atom. The O–O bond length is 1.48 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Ni and one O atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Ni and one O atom.