Crystal structure of KsHf3F17·H2O

Gusev, A. I.; Chuklanova, E. B.; Kuznetsov, V. Ya.; Rogachev, D. L.

doi:10.1007/bf00745619

Cited by 1 publication

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“…The crystallographically unique hafnium atom forms a seven-coordinate slightly distorted square face monocapped trigonal prism with average Hf–F distances of 2.054(3) for Hf1, which correlates well with the expected value predicted by Shannon . The occurrence of seven-coordinate hafnium atoms tends to be limited to pentagonal bipyramidal geometries in other alkali hafnium fluorides. , This phase contains Hf1, Na1, Na2, Na3, and F4 atoms in special positions. Hf1, Na1, and Na3 have m symmetry, and both Na2 and F4 have 2/ m symmetry.…”

Section: Resultssupporting

confidence: 76%

“…25 The occurrence of seven-coordinate hafnium atoms tends to be limited to pentagonal bipyramidal geometries in other alkali hafnium fluorides. 6,8 This phase contains Hf1, Na1, Na2, Na3, and F4 atoms in special positions. Hf1, Na1, and Na3 have m symmetry, and both Na2 and F4 have 2/m symmetry.…”

Section: Resultsmentioning

confidence: 99%

“…Limited previous work was done primarily in molten alkali fluoride salts and led to a variety of alkali metal hafnium fluorides. Several ternary A x Hf y F z compounds were characterized, mostly by either powder or single crystal diffraction, − with a majority of these phases being potassium hafnium fluorides. Most of the single-crystal structural characterization has centered on the A 2 HfF 6 phases (A = K, Rb, Cs).…”

Section: Introductionmentioning

confidence: 99%

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Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides

et al. 2012

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This paper describes the hydrothermal chemistry of alkali hafnium fluorides, including the synthesis and structural characterization of five new alkali hafnium fluorides. Two ternary alkali hafnium fluorides are described: Li(2)HfF(6) in space group P31m with a = 4.9748(7) Å and c = 4.6449(9) Å and Na(5)Hf(2)F(13) in space group C2/m with a = 11.627(2) Å, b = 5.5159(11) Å, and c = 8.4317(17) Å. Three new alkali hafnium oxyfluorides are also described: two fluoroelpasolites, K(3)HfOF(5) and (NH(4))(3)HfOF(5), in space group Fm3m with a = 8.9766(10) and 9.4144(11) Å, respectively, and K(2)Hf(3)OF(12) in space group R3m with a = 7.6486(11) Å and c = 28.802(6) Å. Infrared (IR) spectra were obtained for the title solids to confirm the structure solutions. Comparison of these materials was made based on their structures and synthesis conditions. The formation of these species in hydrothermal fluids appears to be dependent upon both the concentration of the alkali fluoride mineralizer solution and the reaction temperature. Both X-ray and visible fluorescence studies were conducted on compounds synthesized in this study and showed that fluorescence was affected by a variety of factors, such as alkali metal size, the presence/absence of oxygen in the compound, and the coordination environment of Hf(4+).

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Section: Resultssupporting

confidence: 76%