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A Structural Study of the Perovskite Series CaTi1−2xFexNbxO3

✍ Scribed by Anton R. Chakhmouradian; Roger H. Mitchell


Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
383 KB
Volume
138
Category
Article
ISSN
0022-4596

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✦ Synopsis


An X-ray powder diffraction study of the series CaTi 1؊2x Fe x Nb x O 3 is presented. The series comprises orthorhombic perovskites (Pbnm, a+b+'2a p , c+2a p , Z ‫؍‬ 4) in the range 04x40.3, and monoclinic perovskites (P2 1 /n, a+b+'2a p , c+2a p , O90°, Z ‫؍‬ 4) in the range 0.44x40.5. The structure of the orthorhombic members is derived from the cubic aristotype by octahedral rotation a ؊ a ؊ c ؉ . The structural distortion in the monoclinic members involves octahedral rotation and short-range cation ordering at the B-site (4c and 4d). In the series CaTi 1؊2x Fe x Nb x O 3 , the unit-cell parameters and degree of octahedral rotation increase with x. The [111] p tilt angle increases from 16.1°in CaTiO 3 to 17.6-18.9°in CaFe 1/2 Nb 1/2 O 3 (for the NbO 6 and FeO 6 octahedra, respectively). In contrast to previous studies, here the diffraction pattern of the end-member CaFe 1/2 Nb 1/2 O 3 is interpreted to exhibit splitting of the hkl and h0l lines indicative of a monoclinic derivative of the CaTiO 3 -type structure.


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