Investigation of the Heterovalent Substitution Cadmium for Lanthanum in Molybdate La₂MoO₆

Table 2

Rietveld structure refinement of the Lа_2-xCd_xMoO_6-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
χ^2	1.57	1.28
RB	3.49	5.51
Rf	4.44	6.36