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Materials Data on Cu3P8(Se2I)3 by Materials Project

(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.

36 MATERIALS SCIENCE↗