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The results of the ab initio FLAPW-GGA calculations of the band structure ofthe newly synthesized tetragonal (space group P4/nmm) layered ironphosphide-oxide: 17K superconductor Sr4Sc2Fe2P2O6 are presented. ForSr4Sc2Fe2P2O6 the optimized structural data, the energy bands, total andpartial densities of states, Fermi surface topology, low-temperature electronspecific heat and molar Pauli paramagnetic susceptibility have been determinedand discussed in comparison with hypothetical isostructural iron arsenide-oxidephase Sr4Sc2Fe2As2O6 and related layered FeAs and FeP superconductors.

Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6