Abstract
The phase Zr(N, O, F)x has been studied by X-ray powder diffraction and transmission electron microscopy. It had previously been described as an oxygen free nitride fluoride and the structure of one composition from the solid solution field solved as a so-called Vernier superstructure approximation. More correctly the phase should be described as an incommensurate, compositely modulated structure, with a continuously variable, composition-dependent, primary modulation wave-vector. The total anion to cation ratio can be uniquely determined from careful measurement of diffraction patterns and is shown to be continuously variable and to range between 2.12 and 2.25. The cell parameters of the component substructures are determined and show a linear dependence upon the union to cation ratio. Apparent valence calculations are used to investigate anion ordering.
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