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- W2034631709 abstract "Abstract A new family of oxyfluorides with formula A 2 B 3 OF 12 ( A = Rb, Tl, NH 4 ; B = Zr, Hf) has been synthetized. The crystal structure of Tl 2 Zr 3 OF 12 has been determined from single crystal X-ray diffraction data collected with a Nonius CAD-4 automatic diffractometer. Tl 2 Zr 3 OF 12 crystallizes in the rhombohedral system, space group R 3 m (No. 166), with hexagonal lattice parameters a = 7.703(1) A and c = 30.017(2) A, Z = 6. The structure was solved by conventional Patterson and Fourier methods and refined by full matrix least-squares techniques to a conventional R of 0.046 ( R ω = 0.063). The structure analysis, using different methods for evaluating the valence-bond distributions according to various modifications of the Pauling electroneutrality principle, has been carried out and has shown an ordered oxygen-fluorine distribution within the anionic sublattice. The structure consists of double layers of edge-shared and corner-shared distorted square antiprisms Zr X 8 ( X = F,O). The double layers running perpendicularly to the c hexagonal lattice axis have a stacking sequence ABC, ABC , …, and are bonded together by the Tl + ions. Comparison with other structural types, namely KY 3 F 10 , β-KYb 3 F 10 , Na 7 Zr 6 F 31 , and fluorite, are discussed as far as the arrangements of cation centered square antiprisms are concerned." @default.
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- W2034631709 date "1984-01-01" @default.
- W2034631709 modified "2023-09-25" @default.
- W2034631709 title "Crystal structure of a new oxyfluoride: Tl2Zr3OF12" @default.
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