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La2MgNi2H8: The First Mixed Polyanionic Transition Metal Hydride

Introduction to complex metal hydrides, focusing on La2MgNi2H8 structure and synthesis methods, as presented at the 2006 SSCr Meeting in Bern. The compound features both tetragonal and monoclinic structures, with distinct deuterium atom coordination. The bonding involves the 18-electron rule for La3+, Mg2+, and hydride complexes, impacting physical properties.

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La2MgNi2H8: The First Mixed Polyanionic Transition Metal Hydride

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  1. La2MgNi2H8, the first mixed polyanionic transition metal hydride J-N. Chotard, Y. Filinchuk, K. Yvon SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  2. Introduction Complex metal hydrides ~ 80 compounds containing ~ 30 different transition metal hydride complexes:almost all of them are mononuclear 1st polynuclear hydride complexes based on 3d-metal [Ni2H7]7- & [Ni4H12]12- SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  3. Synthesis and structure determ. • La2MgNi2: arc-melting La and Ni, sintering the product with Mg • La2MgNi2H8: hydrogenation/deuteration in an autoclave:30 bar, 100°C High-resolution synchrotron powder diffraction (SNBL at ESRF):indexing, metal structure (FOX), Rietveld High-resolution neutron powder diffraction (HRPT, SINQ, PSI):16 deuterium atom positions (FOX), Rietveld SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  4. Structure of La2MgNi2H8 Metal atom shifts < 0.65 Å La2MgNi2 La2MgNi2H8 Tetragonal Monoclinic 7.64 3.94 Å 11.84 7.82 11.96 Å 92.78 ° SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  5. Two types of D-atom positions La2MgNi2 La2MgNi2H8 SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  6. Bonding :18 electron rule La3+, Mg2+[Ni2H7]7-, [Ni4H12]12-, H- 64 electrons 34 electrons This concept is supported by observed changes in physical properties SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

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