Time-of-flight neutron powder diffraction study of the LaNi 5D 3 structure

Abstract

The structure of an intermediate phase (LaNi 5D 3) in the LaNi 5-D 2 system was refined using high resolution time-of-flight neutron powder diffraction data. The structure is described in the space group P6/ mmm and the unit cell dimensions are a = 5.302(5) A ̊ and c = 4.066(3) A ̊ . Two of the three deuterium atoms of LaNi 5D 3 occupy the 6i site (0.5, 0, 0.088) and the remaining deuterium atom occupies the 6m site (0.131, 0.262, 0.5). Measurements of the hydrogen content of the specimen confirmed the composition LaNi 5D 3.