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X-ray Diffraction Study of Double Perovskites R(Co3/4Ti1/4)O3 (R= La, Pr, Nd, Sm, Eu, Gd, Dy, Ho)



Winnie K. Wong-Ng, Khawla AlHamdan, Jude Anike, James A. Kaduk


The crystal structure and powder patterns were prepared for the perovskite series R(Co3/4Ti1/4)O3 (R= La, Pr, Nd, Sm, Gd, Dy, Ho). The R(Co3/4Ti1/4)O3 members are isostructural with each other and are crystallized in the orthorhombic crystal system with space group Pnma, Z = 4. From R=La to Ho, the lattice parameters a range from 5.4614(3) Å to 5.5368(2) Å, b range from 7.7442(4) Å to 7.4859(2) Å, and c range from 5.5046(3)) Å to 5.2170(2) Å. The unit cell volumes, V which range from 232.81(2) Å3 to 216.237(11) Å3 follow the trend of ‘lanthanide contraction’. The structure distortion of these compounds is evidenced in the tilt angles theta, phi, and omega which represent rotations of an octahedron about the pseudo-cubic perovskite [110]p, [001]p and [111]p axes. All three tilt angles increase across the lanthanide series (for R=La to R= Ho: theta increases from 8.34 º to 17.00º, phi from 6.24 º to 8.53 º, and omega from 10.41 º to 18.96 º), indicating a greater octahedral distortion as the ionic radius of R3+ (r(R3+)) decreases. The bond valence sum values for the (Co/Ti) site and the R site of R(Co3/4Ti1/4)O3 reveal no significant bond strain in these compounds. X-ray diffraction patterns of the R(Co3/4Ti1/4)O3 samples were submitted to the Powder Diffraction File (PDF).
Solid State Sciences


R(Co3/4Ti1/4)O3 (R= La, Pr, Nd, Sm, Gd, Dy, Ho), crystal structure, X-ray powder diffraction patterns
Created December 8, 2017, Updated March 26, 2019