Research Article
Investigation of the Heterovalent Substitution Cadmium for Lanthanum in Molybdate La2MoO6
Table 2
Rietveld structure refinement of the Lа2-xCdxMoO6-x/2.
| Content Cd (x) | 0.5 | 0.6 |
| Impurity phase | Lа2MoO6, CdO | CdO | Lattice parameters a, (Å) | 11.2170(4) | 11.2004(6) |
| Atom coordinates, (x, y, z) | La1, 12(e) | 0.0097(7); ¼; ¼ | 0.0083(8); ¼; ¼ | (La/Cd)2, 8(c) | 0; 0; 0 | 0; 0; 0 | Mo/Cd, 12(d) | 0; ¾; ¼ | 0; ¾; ¼ | O1, 16(f) | 0.110(3); 0.110(3); 0.110(3) | 0.108(3); 0.108(3); 0.108(3) | O2, 48(h) | 0.577(3); 0.371(2); 0.844(3) | 0.574(2); 0.375(2); 0.850(3) |
| Position occupancy | (La/Cd)2 | La 4; Cd 4 | La 2.93; Cd 5.07 | Mo/Cd | Mo 10.8(4); Cd 1.33 | Mo 10.7(2); Cd 1.33 |
| Reliability factors | Rp | 8.76 | 10.3 | Rwp | 11.7 | 14.3 | Rexp | 9.33 | 12.65 | χ2 | 1.57 | 1.28 | RB | 3.49 | 5.51 | Rf | 4.44 | 6.36 |
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