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(CuI)2P8Se3 crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four iodocopper molecules, eight phosphine molecules, and twelve PPSe clusters. In each PPSe cluster, P+0.75+ is bonded in a distorted single-bond geometry to one Se2- atom. The P–Se bond length is 2.28 Å. Se2- is bonded in an L-shaped geometry to two equivalent P+0.75+ atoms.
CuI(PSe)4 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four iodocopper molecules and four PSe ribbons oriented in the (0, 1, 0) direction. In each PSe ribbon, there are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.28 Å) and one longer (2.29 Å) P–Se bond lengths. In the second P2+ site, P2+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.30 Å) and one longer (2.31 Å) P–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent P2+ atoms. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent P2+ atoms. In the third Se2- site, Se2- is bonded in a water-like geometry to two P2+ atoms.
CuIP4Se3 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four copper iodide copper molecules and eight tetraphosphorous triselenide molecules.
(CuI)3(P4Se3)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four iodocopper molecules; eight tetraphosphorous triselenide molecules; and two CuI ribbons oriented in the (1, 0, 0) direction. In each CuI ribbon, Cu+1.67+ is bonded in a distorted water-like geometry to two equivalent I1- atoms. There are one shorter (2.64 Å) and one longer (2.74 Å) Cu–I bond lengths. I1- is bonded in a bent 120 degrees geometry to two equivalent Cu+1.67+ atoms.