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Neutron and X-Ray Diffraction Study of the Crystal Structure of CsTiSi2O6.5

✍ Scribed by M.L. Balmer; Q. Huang; W. Wong-Ng; R.S. Roth; A. Santoro

Publisher: Elsevier Science
Year: 1997
Tongue: English
Weight: 307 KB
Volume: 130
Category: Article
ISSN: 0022-4596
DOI: 10.1006/jssc.1997.7284

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✦ Synopsis

The structure of the silicotitanate CsTiSi 2 O 6.5 has been analyzed with neutron powder and X-ray single crystal diffraction techniques. The compound crystallizes with the symmetry of space group Ia3 d and lattice parameter a ‫؍‬ 13.8417(7) A s . There are 16 formula units in the unit cell. The basic structure of the silicotitanate is similar to that of pollucite and consists of a framework of corner-sharing TO 4 tetrahedra (T ‫؍‬ 1/3 Ti؉ 2/3 Si) forming large voids in which the Cs ؉ cations are located. Titanium and silicon are disordered over the 48g sites of the cubic space group. Compared to pollucite, there are eight extra oxygen atoms in the unit cell. These atoms partially occupy two sets of general sites and are bonded to both the cesium and the T cations of neighboring tetrahedra.

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