Research Article

Synthesis, Characterization, and Crystal Structure Refinement of Lanthanum and Yttrium Substituted Polycrystalline 2M Type Zirconolite Phases: Ca1-xMxZrTi2O7 (M = Y, La and x = 0.2)

Table 1

Crystallographic data for type ZrTi2O7 (, La and ) ceramic phases at room temperature.

PhaseCZTYCZTLa

Lattice parameters
10.1708 (6)11.2548 (6)
6.2711 (4)6.2601 (4)
11.2779 (6)11.2606 (7)
90°90°
100.589 (5)°100.586 (6)°
R-pattern (Rp)0.11280.1178
R-weighted pattern (Rwp)0.18050.1874
Rwp expected (Re)0.8040.0802
R-structure factor (RF2)0.321580.25482
Volume of unit cell ()1018.25 (7)1108.66 (7)
DensityX-ray (gm/cm3)3.903.705
Unit cell formula weight2636.2152674.158
S (goodness-of-fit)1.982.05
Slope1.48791.4798
Number of parameters refined3939

Structure: rhombohedral; space group; C2/c; .