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From neutron powder diffraction intensities it is often problematic to distinguish between centrosymmetry and non-centrosymmetry. X-ray single crystal diffraction may be more accurate. In this paper we compare refinement results of crystal structures on the basis of neutron powder data of orthorhombic NdGaO 3  (300 K) and of rhombohedral LaGaO 3  (573 K), obtained from non-centrosymmetric and centrosymmetric starting models. By using of X-ray single crystal measurements, the structures of LaGaO 3  and NdGaO 3  could be determined as being centrosymmetric corresponding to the space group  R [unk] c  and  Pbnm , respectively.

Structure characterization with neutron powder data of LaGaO 3 and NdGaO 3 based on X-ray single-crystal data: evidence for an inversion center