Substitutions in Nd_5−xTb_xMo₃O_16+δ Series: Phase Formation, Atomistic Modeling, and Crystal Structure of Nd₅Mo₃O_16+δ-Based Solid Solutions

Table 5

Some interatomic distances and bond valence sums (BVS) for Nd_4.85Tb_0.15Mo₃O_16+δ () solid solution compared to Nd₅Mo₃O_16+δ ().

Position	Environment	BVS	r (Me– O) (Å)	r (Me– O) (Å)
Nd1	4 × O1	3.09 (4)	2.356 (16)	2.377 (3)
Tb1	4 × O2	2.53 (4)	2.597 (11)	2.567 (3)
Nd2	2 × O1	2.79 (3)	2.320 (15)	2.283 (2)
Tb2	6 × O2	2.29 (3)	2.578 (14)	2.615 (2)
Mo	4 × O2	5.62 (11)	1.781 (13)	1.768 (2)