neutron total scattering measurements were conducted on Mgtio 3 , catio 3 , Srtio 3 , and Batio 3 to simultaneously investigate the local and average structure of these materials. the local structures of Mgtio 3 , catio 3 , and Srtio 3 were well modelled using the refined average structural models: trigonal R3, orthorhombic Pbnm, and cubic Pm3m respectively. However the local structure for Batio 3 , at both temperatures where the average structure is orthorhombic Amm2 and tetragonal P4mm, was best described by the rhombohedral R3m model. only the R3m model was able to account for the observed displacement of titanium in the [111] direction. Furthermore, box-car type refinements were conducted. These refinements show that the coherence length of the rhombohedral distortion is around 10 Å, at larger r-ranges the local distortions become misaligned and average out to Amm2 and P4mm.
The solid solution, sodium [iron(III)/manganese(II)] tris(orthophosphate), Na3.4Mn0.4Fe1.6(PO4)3, was obtained using a flux method. Its crystal structure is related to that of NASICON-type compounds. The [(Mn/Fe)2(PO4)3] framework is built up from an (Mn/Fe)O6 octahedron (site symmetry 3.), with a mixed Mn/Fe occupancy, and a PO4 tetrahedron (site symmetry .2). The Na+ cations are distributed over two partially occupied sites in the cavities of the framework. One Na+ cation (site symmetry -3.) is surrounded by six O atoms, whereas the other Na+ cation (site symmetry .2) is surrounded by eight O atoms.
KMg0.09Fe1.91(PO4)2, potassium [iron(II)/magnesium] iron(III) bis(orthophosphate), is a solid solution derived from compounds with general formula KM
IIFe(PO4)2 (M
II = Fe, Cu), in which the Mg atoms substitute Fe atoms only in the octahedrally surrounded sites. The framework of the structure is built up from [FeO5] trigonal bipyramids and [MO6] (M = (Fe, Mg) octahedra sharing corners and edges and connected by two types of bridging PO4 tetrahedra. The K+ cations are nine-coordinated and are situated in channels running along [101].
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