Crystals of ordered and disordered Ba 7 F 12 Cl 2 were prepared by flux growth and solid state reactions. These new structures were characterized by single crystal and powder X-ray diffraction. The disordered variant which shows disorder on one of the cation sites was obtained from a BaF 2 + BaCl 2
Synthesis and Structure of the Disordered Modification of Pb7F12Cl2
β Scribed by F. Kubel; H. Hagemann; H. Bill
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 121 KB
- Volume
- 149
- Category
- Article
- ISSN
- 0022-4596
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β¦ Synopsis
We recently discovered a new compound with composition Ba 7 F 12 Cl 2 . It was possible to show that the variation of the synthesis conditions makes it possible to obtain a disordered and an ordered modi5cation with di4erent lattice parameters and space groups (P6 3 /m [176] and P6 [174]). For Pb 7 F 12 Cl 2 an ordered modi5cation is reported in the literature. In this paper we present the synthesis and structural characterization from X-ray di4raction data of the disordered modi5cation of Pb 7 F 12 Cl 2 . Single crystals were grown from a 6ux and the structure was re5ned in the hexagonal space group P6 3 /m to R(R w ) β«Ψβ¬ 0.043(0.038) for 284 re6ections and 26 parameters. Lattice parameters are a β«Ψβ¬ b β«Ψβ¬ 1021.90(8) pm and c β«Ψβ¬ 361.93(6) pm with Z β«Ψβ¬ 1. Propeller-type arrangements with chlorine as axis and 6uorines as blades are observed. The ordered modi5cation of Pb 7 F 12 Cl 2 was prepared by a new hydrothermal synthesis. Di4erences between both modi5cations are found in the lattice constants and atomic occupation parameters for the atom type Pb2 and the connected 6uorine ions.
π SIMILAR VOLUMES
## Abstract The crystal structure of the disordered modification of Ba~7~F~12~Cl~2~ has been carefully reβexamined on several new crystals prepared under different conditions of synthesis. All single crystal structure refinements reveal a residual electron density of βΌ3 e^β^/Γ ^3^ in the 0,0,0 posit