Calcium-free Solid Solutions in the System Ba7F12Cl2−xBrx (x<1.5), a Single-component White Phosphor Host

Penhouet, T. ; Hagemann, H. ; Kubel, F. ; Rief, A.

In: Journal of Chemical Crystallography, 2007, vol. 37, no. 7, p. 469-472

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    Summary
    We have recently prepared solid solutions of Ba∼6.3Ca∼0.7F12Cl2−xBrx with x ranging from 0 to 2. In this work, the synthesis and single crystal X-ray structure of calcium-free crystals of Ba∼6.9Na∼0.2F12Br0.6Cl1.4 (space group P63/m, a=10.6024(10), c=4.2034(4)Å), Ba∼6.9Na∼0.2F12Br1.4 Cl0.6 (space group P63/m, a=10.6155(9), c=4.2355(4)Å) and Ba∼6.9Na∼0.2Br1.32Cl0.68F12 (space group P63/m, a=10.6218(9), c=4.2284(4)Å) are reported. These crystals systematically present additional electron density at the 0 0 0.25 position which is associated with the presence of small, but significant amounts of Na+ ions in the crystal