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The crystal structure of the Pd 6 B phase has been elucidated employing selected-area electron diffraction and X-ray and neutron powder diffraction methods. It is based on a cubic close packed arrangement of Pd with B occupying 1/6 of the interstitial octahedral sites in an ordered way, such that a monoclinic ( C 2/ c ) superstructure results. The crystal structure contains isolated [BPd 6 ] octahedral entities providing large distances between nearest neighbour boron atoms. Depending on the way of preparation, the same Pd 6 B phase can occur for the same composition in two different ‘manifestations’ having considerably different lattice parameters, which has a microstructural origin. Various phase equilibria between the ordered Pd 6 B phase and the disordered interstitial solid solution of boron in cubic close packed palladium have been investigated to clarify the corresponding regions in the phase diagram Pd—B.

On the formation and crystal structure of the Pd 6 B phase