Order-Disorder Phase Transition in NaBD4

P. Fischer; Andreas Züttel

doi:10.4028/www.scientific.net/MSF.443-444.287

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HomeMaterials Science ForumMaterials Science Forum Vols. 443-444Order-Disorder Phase Transition in NaBD4

Order-Disorder Phase Transition in NaBD₄

Abstract:

By means of neutron diffraction the low-temperature crystal structure of NaBD₄ has been determined. At 10 K the lattice parameters are a = 4.332(1) Å and c = 5.869(1) Å. Deuterium is found in a tetrahedral arrangement [sites (8g)] around B. The symmetry corresponds to space group P4₂/nmc. For room temperature the structure model for NaBD₄ of Davis and Kennard with disordered deuterium distributed over two sites has been revised to space group Fm-3 m. Thus the 190 K phase transition known from specific heat measurements is of order-disorder type, caused by reorientations of BD₄ tetrahedra.

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Periodical:

Materials Science Forum (Volumes 443-444)

Pages:

287-290

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.443-444.287

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Online since:

January 2004

Authors:

P. Fischer, Andreas Züttel

Keywords:

Crystal Structure, Hydrides, NaBD₄, Neutron Diffraction, Order-Disorder Phase Transition

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