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Carbometallate: Komplexe Anionenverbände [MoC4/26—] in der Kristallstruktur von Pr[MoIIC2]
Authors:Enkhtsetseg Dashjav  Guido Kreiner  Walter Schnelle  Frank R Wagner  Rüdiger Kniep
Abstract:Carbometalates: Complex Anions equation/tex2gif-stack-4.gif MoC4/26—] in the Crystal Structure of Pr equation/tex2gif-stack-5.gif MoIIC2] Criteria for the existence of carbometalates are established and discussed in a broader context. The concept is then applied to the novel compound Pr2MoC2], which is characterized by chemical analyses, X‐ray diffraction and metallography. The crystal structure (tetragonal, P42/mnm, Z = 4, a = 581.29(8) pm, c = 1032.53(14) pm) consists of layered polyanions equation/tex2gif-stack-6.gifMoC4/26—] of distorted vertex and edge sharing MoC4 tetrahedra. Praseodymium is also in a distorted tetrahedral coordination by carbon. The physical properties show “bad metal” behaviour and localized magnetic 4f‐moments in agreement with the existence of Pr3+‐species. A detailed bonding analysis using both the electron localization function ELF and the COHP method justifies the interpretation of the title compound as a carbomolybdate(II).
Keywords:Carbometalates  Molybdenum  Rare‐earth compounds  Crystal structure  Electronic structure  ELF (electron localization function)
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