Materials Data on Cu3P8(Se2Br)3 by Materials Project
(CuBr)3(P4Se3)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of eight tetraphosphorous triselenide molecules and six CuBr ribbons oriented in the (1, 0, 0) direction. In each CuBr ribbon, Cu+1.67+ is bonded in a water-like geometry to two equivalent Br1- atoms. There are one shorter (2.47 Å) and one longer (2.50 Å) Cu–Br bond lengths. Br1- is bonded in a bent 120 degrees geometry to two equivalent Cu+1.67+ atoms.
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