Crystal structure and transport properties of Pd5HgSe

The Pd5HgSe compound was synthesised by heating of stoichiometric mixture of elements at 400 °C by means of the evacuated silica glass tube technique. Its crystal structure was refined by Rietveld method from powder X-ray diffraction data. Pd5HgSe adopts tetragonal symmetry, space group P4/mmm, unit cell parameters a = 4.0128(2) Å, c = 7.0378(6) Å, V = 113.33(2) Å3, Z = 1. The crystal structure of Pd5HgSe is composed of alternating slabs of the AuCu3-type cuboctahedra [HgPd12] and the PtHg2-type rectangular prisms [SePd8]. The title compound crystallizes in the Pd5TlAs structure type. The electric resistivity as well as the Seebeck coefficient measurements suggests semimetallic behaviour.

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► The hitherto unknown phase Pd5HgSe was synthesized using silica glass tube technique.
► The crystal structure of Pd5HgSe was refined from powder X-ray diffraction data.
► The Pd5HgSe compound crystallizes in the Pd5TlAs structure type.
► Semimetallic behaviour was observed.