Abstract
Single-crystal and powder samples of a new calcium iron(II) titanate, CaFeTi2O6, have been synthesized at 12-15 GPa and 1200-1400°C, and studied by X-ray diffraction. This compound is a variant of the perovskite structure and crystallizes in the tetragonal space group P 42/nmc, a = 7.5157(2) Å, c = 7.5548(2) Å, and Z = 4. Calcium and two iron atoms are ordered on three different A sites, with calcium in approximately 10-fold coordination, with one iron atom in tetrahedral coordination (Fe-O = 2.084(2)/Å), and the other iron atom in square-planar coordination (Fe-O = 2.097(2) Å). The system of octahedral tilts which this compound adopts has not been observed previously in a perovskite. The tilt system was described in a theoretical treatment of perovskites (a+a+c— in the notation of A. M. Glazer (Acta Crystallogr. Sect. B 28, 3384, 1972) and was (incorrectly) assigned to space group Pmmn.
Original language | English (US) |
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Pages (from-to) | 277-281 |
Number of pages | 5 |
Journal | Journal of Solid State Chemistry |
Volume | 114 |
Issue number | 1 |
DOIs | |
State | Published - Jan 1995 |
Externally published | Yes |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry