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Synthesis and Structure of the new Fluoride Bromide Ba6.668(2)Ca0.332(2)F12Br2 and Solid Solutions with Composition Ba7-xCaxF12(ClyBr1-y)2 with x=~0.5, 0 low-spin relaxation in [Fe(Ptz)6](BF4)2 spin transition crystal

Authors
Frühmann, B.
Published in Zeitschrift für anorganische und allgemeine Chemie. 2004, vol. 630, no. 10, p. 1484-1488
Abstract Crystals of the chemical composition Ba7F12Cl2 were modified by adding a small amount of Ca2+ to allow the synthesis of the corresponding bromine compound Ba[Ca]7F12Br2. These samples were prepared in a NaBr flux and characterized by single crystal x-ray diffraction. The new structure crystallizes in a disordered arrangement in the hexagonal space group P63/m (176). The calcium ion has a coordination number of 6. Solid solutions on the heavy halide position can be synthesised in a NaCl/NaBr flux to obtain the compounds Ba7-xCaxF12(ClyBr1-y)2 with x = 0.5 and 0 < y < 1. Regardless the amount of calcium used in the preparation process, the Ca stoichiometry in the compound is always between 0.3 and 0.5. The lattice parameters differ depending on the Ca- and Br-content between 1053.81(5) a = b 1058.93(3) pm and 421.21 c 426.78(3) pm.
Keywords BariumCalciumFluoride bromideDisordered structuresCrystal structuresSolid solutions
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Research group Groupe Hauser
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FRÜHMANN, B. et al. Synthesis and Structure of the new Fluoride Bromide Ba6.668(2)Ca0.332(2)F12Br2 and Solid Solutions with Composition Ba7-xCaxF12(ClyBr1-y)2 with x=~0.5, 0 low-spin relaxation in [Fe(Ptz)6](BF4)2 spin transition crystal. In: Zeitschrift für anorganische und allgemeine Chemie, 2004, vol. 630, n° 10, p. 1484-1488. https://archive-ouverte.unige.ch/unige:2935

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Deposited on : 2009-09-21

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