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The title compound Cu3PSe4 was synthesized by the reaction of CuCl, P2Se5 and Se in a molar ratio of 1:1:1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space group Pmn21 with cell parameters: a = 7.685(2), b = 6.656(1), c = 6.377(1) , V = 326.2(1) 3, Z = 2, Dc = 5.472 g/cm3, Mr = 537.43, F(000) = 476, m = 32.12 mm-1, R = 0.0642, wR = 0.1481 and S = 1.037. The 3-D structure can be regarded as constructed from the alternately stacking of [Cu(2)Se4] tetrahedral layers and Cu(1)PSe tetrahedral layers along the b direction, in which the Cu(2)Se layer is comprised of corner-sharing [Cu(2)Se4] tetrahedra along the a and c directions, and the Cu(1)PSe layer is consisted of alternately corner-sharing [Cu(1)Se4] tetrahedra and [PSe4] tetrahedra along the a and c directions.
The title compound Cu3PSe4 was synthesized by the reaction of CuCl, P2Se5 and Se in a molar ratio of 1: 1: 1 at 500 C and structurally characterized by X-ray crystallography. The crystal belongs to orthorhombic, space group Pmn21 with cell parameters: a = 7.685 (2) b = 6.656 (1) c = 6.377 (1) V = 326.2 (1) 3 Z = 2 Dc = 5.472 g / cm3 Mr = 537.43 F (000) = 476 , m = 32.12 mm-1, R = 0.0642, wR = 0.1481 and S = 1.037. The 3-D structure can be regarded as constructed from the alternating stacking of [Cu (2) Se4] tetrahedral layers and Cu tetrahedral layers along the b direction, where the Cu (2) Se layer is comprised of corner-sharing [Cu (2) Se4] tetrahedra along the a and c directions, and the Cu -sharing [Cu (1) Se4] tetrahedra and [PSe4] tetrahedra along the a and c directions.