Zusammenfassung
The crystal structures of Pb2Pd3Se2 and superconducting Bi2Pd3Se2 are investigated from single crystal X-ray diffraction. Thus, an enhanced view on structure trends can be given for the series Bi(2)M(3)Ch(2) and Pb(2)M(3)Ch(2) (M = Ni, Rh, Pd, Ch = S, Se) including structure-property relations to superconducting parkerite, Bi2Ni3S2, non superconducting Bi2Pd3S2, and trigonal shandite, Pb2Ni3S2. ...
Zusammenfassung
The crystal structures of Pb2Pd3Se2 and superconducting Bi2Pd3Se2 are investigated from single crystal X-ray diffraction. Thus, an enhanced view on structure trends can be given for the series Bi(2)M(3)Ch(2) and Pb(2)M(3)Ch(2) (M = Ni, Rh, Pd, Ch = S, Se) including structure-property relations to superconducting parkerite, Bi2Ni3S2, non superconducting Bi2Pd3S2, and trigonal shandite, Pb2Ni3S2. Systematics and deviations of the structure types are pointed out by group-subgroup relations from a common aristotype perovskite superstructure. Found structures and atomic site occupations are differenciated by means of Barnighausen trees, M site ordering, coordination spheres, and polyhedra sharing [Ch(2)A(4)] as proposed by the scheme of ordered half antiperovskites A(2)M(3)Ch(2) = AM(3/2)Ch (A = In, Sn, Tl, Pb, Bi; M = Co, Ni, Rh, Pd, and Ch = S, Se). Low dimensional partial structures with short M-M distances are analyzed with respect to the occurrence of superconductivity in parkerites.
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