Description of Ba1 + x Ni x Rh1 − x O3 with x = 0.1170 (5) in superspace: modulated composite versus modulated-layer structure

Abstract

The structure of the compound Ba1 + x Ni x Rh1 − x O3 [x = 0.1170 (5)] has been analyzed at room temperature within the (3 + 1)-dimensional superspace approach using single-crystal X-ray diffraction data. Two different models are presented, the compound is refined as modulated composite as well as modulated-layer structure. In both models discontinuous atomic domains are applied to describe the structural modulations. While the first approach stresses the pseudo-one-dimensional constitution, the latter highlights the layered character of these structures.