Nitrogen Order in Inverse Perovskites
The inverse perovskites (Ca3Nx)Ge, (Ca3Nx)Sn and (Ca3Nx)Pb were first reported in 1992 to crystallize in the perovskite aristotype space group Pm-3m with full occupation of the nitrogen site. Our samples have a lower nitrogen content and show superstructure reflections indicating an elpasolite-type ordering of the nitrogen site, leading to space group Fm-3m. However, this ordering can only indirectly be observed using X-ray diffraction due to the low electron count of nitrogen. We only see the shift of the surrounding calcium atoms (nitrogen containing NCa6 octahedra are smaller than 'empty' ones). In addition, we have synthesized samples of the new inverse perovskites (Ca3Nx)Si and (Ba3Nx)Ge, the latter of which is distorted due to octahedral tilts in addition to the elpasolite superstructure. We would like to conduct neutron diffraction experiments at D2B to clearly identify if there is full or partial ordering of the nitrogen site. These experiments should include low temperature measurements for (Ca3Nx)Si and (Ca3Nx)Ge, as well as a high temperature measurement at D20 for (Ba3Nx)Ge to detect additional distortions.
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The recommended format for citing this dataset in a research publication is in the following format:
LINK Lukas; Thomas C. Hansen and NIEWA Rainer. (2021). Nitrogen Order in Inverse Perovskites. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-21-1156
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