Materials Data on CoNi(PS3)2 by Materials Project

CoNi(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one CoNi(PS3)2 sheet oriented in the (0, 0, 1) direction. Co1+ is bonded to six S2- atoms to form CoS6 octahedra that share edges with three equivalent NiS6 octahedra. There are four shorter (2.34 Å) and two longer (2.35 Å) Co–S bond lengths. Ni1+ is bonded to six S2- atoms to form NiS6 octahedra that share edges with three equivalent CoS6 octahedra. There are four shorter (2.43 Å) and two longer (2.44 Å) Ni–S bond lengths. P5+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.06 Å) and one longer (2.07 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Co1+, one Ni1+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Co1+, one Ni1+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Co1+, one Ni1+, and one P5+ atom.