Structure of Nd5Mo3O16 single crystal;
Rare-earth molybdenum oxides;
Structure-property relationships;
D O I:
10.1524/zkri.2012.1563
中图分类号:
O7 [晶体学];
学科分类号:
0702 ;
070205 ;
0703 ;
080501 ;
摘要:
Structure of the Nd5Mo3O16 single crystal grown in the Nd2O3-MoO3 system was studied using the X-rays diffraction technique at 293 K and 110 K temperatures. The unit-cell values were always cubic relating to that of CaF2 fluorite as a approximate to 2a(f) (a(f) = 5.5 angstrom). The structure was solved within the Pn (3) over barn symmetry group. It was found that the Nd5Mo3O16 compound has a fluorite-like structure with all atoms disordered. An indirect confirmation for the violation of translational periodicity in the distribution of Mo and Nd atoms was obtained. The possible oxygen diffusion paths were analyzed using the one-particle potentials of the oxygen atoms. The ionic conductivity of Nd5Mo3O16 compound is associated with the disordering of the oxygen atoms in several positions, and their deficiency in comparison with the initial fluorite.