Synthesis and Re—refinement of Cu3PSe4

1 INTRODUCTION The chemistry of mixed 15/16 main group compounds has attracted great attentions over the last years1]. The metal chalcogenophosphides synthesized by solid state reactions2] are the potential candidates for a wide range of applications such as semiconducting properties, two-dimensional magnetic behavior, anisotropy of conductivity and charge density waves. Some of these compounds are of lamellar structure, which are good materials for the investigation of intercalatio…

Synthesis and Re-refinement of Cu3PSe4

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.