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Crystal structure and optical properties of potassium pentafluorohafnate monohydrate, KHfF5 · H2O

Published/Copyright: August 25, 2010
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Abstract

Single crystals of KHfF5 · H2O have been studied by means of single crystal-structure refinement and optical refractometry.

The space group is P21/c, Z = 8, a = 7.853(2), b = 12.068(5), c = 11.053(5) Å, β = 99.61(4)°. The structure was refined by full-matrix least-squares methods to an R value of 0.03 for 1641 independent observed reflections and revealed to be isostructural to KZrF5 · H2O.

Each Hf atom is eightfold coordinated by seven F atoms and one H2O molecule. The two non-equivalent Hf polyhedra are linked into infinite chains parallel [100] by sharing alternatively three and one F atom. The chains are additional strengthened by hydrogen bonds and are connected to layers parallel (010) by further hydrogen bonds. The potassium cations are situated between these layers in irregular coordinations.

The indices of refraction and optic axial angle have been determined with the microrefractometer spindle-stage.

Published Online: 2010-08-25
Published in Print: 1988

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