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The crystal structures of two K1-xCsxBSi2O6 solid solutions have been refined at room temperature dy the Rietveld method: x = 0.12, a = 12.6858(4) Å, Rwp = 7.66%, RF = 5.56% and x = 0.50, a = 12.8480(2) Å, Rwp = 7.64%, RF = 3.10%. They are isostructural to cubic KBSi2O6 with the space group I4̄3d. The structure is built up from (Si,B)O4 tetrahedra linked in four-, six- and eight-fold rings which are forming a three-dimensional borosilicate framework. The framework contains large cavities that are placed in continuous channels along the [111] directions. The Cs and K atoms occupy the positions in the channels statistically. Thermal behaviour of KBSi2O6 and K0.5Cs0.5BSi2O6 has been studied by high-temperature powder X-ray diffraction within the temperature range of 293-1073 K. A new tetragonal polymorph of KBSi2O6 has been found in situ under heating. The new polymorphic I4̄3d (cubic) - Ia3̄d (cubic) transition and the new Ia3̄d cubic polymorphic phase has been proposed for K1-xCsxBSi2O6 from our experimental and literature data on crystal structures and thermal expansion of leucites. The structural relaxation under cationic (K, Cs) substitutions and under heating has been investigated.
Original language | English |
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Pages (from-to) | 55-62 |
Number of pages | 8 |
Journal | Zeitschrift fur Kristallographie |
Volume | 217 |
Issue number | 2 |
DOIs | |
State | Published - 1 Jan 2002 |
ID: 53952512