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2004
Structure
D 2000
47- 004
Synthesis and Structure of the New Fluoride Bromide Ba6.668(2)Ca0.332(2)F12 Br2 and
Solid Solutions with Composition Ba7-xCaxF12 (ClyBr 1-y)2 with x = ≈0.5, 0 < y < 1.
— The title compounds (4 compositions; 0 ≤ y ≤1) are prepared from BaF2 and CaF2
in either a pure NaBr flux or a NaCl/NaBr flux (Pt crucible, >900 °C). Regardless of
the amount of calcium used in the preparation process, the Ca stoichiometry x in the
product is always around 0.3. The samples crystallize in a disordered variant of the
Ba7F12Cl 2 type in the hexagonal space group P6 3/m with Z = 1 (single crystal XRD).
The Ca2+ ion has a coordination number of 6. — (FRUEHMANN*, B.; KUBEL, F.;
HAGEMANN, H.; BILL, H.; Z. Anorg. Allg. Chem. 630 (2004) 10, 1484-1488; Inst.
Chem. Technol. Anal., Univ. Technol., A-1060 Wien, Austria; Eng.) — Schramke
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