PrSeTe2, ein geordnetes ternäres Polychalkogenid mit NdTe3‐Struktur |
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Authors: | B P T Fokwa Th Doert P Simon T Shnel P Bttcher |
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Abstract: | PrSeTe2, an Ordered Ternary Polychalcogenid with NdTe3 Structure Single crystals of PrSeTe2 have been obtained by reaction of the elements in a LiCl/RbCl flux at 970 K during 7 days. PrSeTe2 crystallizes in space group Cmcm (No. 63), with four formula units per unit cell. The lattice constants are a = 426.1(1) pm, b = 2506.0(5) pm, and c = 426.0(1) pm. The crystal structure is an ordered ternary variant of the NdTe3 type. It consists of a puckered double layer of praseodymium and selenium atoms PrSe] sand wiched by two square planar layers of tellurium atoms Te] yielding a stacking —Te]—Te]—PrSe]— along 010]. The Te atoms build regular 44 nets with Te—Te distances of 301, 3(1) pm. DFT calculations propose that this compounds should be metallic mainly due to contributions of the Pr f‐electrons. The band structure shows no significance for a distortion in the Te]—nets. |
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Keywords: | Polychalkogenides Rare earth elements Crystal structure |
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