Materials Data on CoS2N5O9 by Materials Project

Abstract

CoN4NO2SO3SO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four azanide;cobalt molecules; four nitrous acid molecules; four sulfur trioxide molecules; and two SO4 ribbons oriented in the (1, 0, 0) direction. In each SO4 ribbon, S2- is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.43 Å) and two longer (1.44 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- and two equivalent O2- atoms. There are one shorter (2.76 Å) and one longer (2.81 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- and one O2- atom. The O–O bond length is 2.84 Å. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.