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Title: Crystal structure of nonstoichiometric copper-substituted La(Ni[sub 1[minus]z]Cu[sub z])[sub x] compounds studied by neutron and synchrotron anomalous powder diffraction

Journal Article · · Journal of Solid State Chemistry
; ;  [1];  [2]
  1. CNRS, Thiais (France). Lab. de Chimie Metallurgique des Terres Rares
  2. Philips Research Labs., Eindhoven (Netherlands)

The structural properties of the potential battery electrode materials LaNi[sub 4]Cu, LaNi[sub 4.4]Cu, LaNi[sub 5]Cu, and LaNi[sub 4.5]Cu[sub 1.5] have been investigated by neutron and anomalous synchrotron powder diffraction. The nonstoichiometry of such AB[sub x] (5 [le] x [le] 6) compounds has been described in a structure derived from the hexagonal CaCu[sub 5]-type structure by replacement of the A atoms by dumbbells of B atoms. In these copper-substituted compounds, Cu can occupy any of the four available nickel sites. From a joint refinement procedure using both neutron and synchrotron data, the copper-to-nickel ratio at each B site has been determined. This shows that substitution is not random and that copper occupies some crystallographic sites preferentially. The results are discussed and compared to other substituted AB[sub 5] systems.

OSTI ID:
6117064
Journal Information:
Journal of Solid State Chemistry, Vol. 146:2; ISSN 0022-4596
Country of Publication:
United States
Language:
English