The crystal structure of lead chloride fluoride has been refined with three-dimensional X-ray diffraction data, and anharmonic potential parameters were determined. The crystal is tetragonal, P4/nmm, with a=4.1062(2), c=7.2264(9) Å, Z=2, D
x=7.13g/cm
3, μ(Mo K α)=705.7cm
-1. All the ions showed anharmonicity in their thermal vibrations at room temperature. On the basis of the potentials calculated around Cl
- and F
- ions, it was found that the mobility of both Cl
- and F
- ions is larger within the (001) plane than along the c axis.
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