Electrical and Structural Characterization of Ba3Mo1–xNb1+xO8.5–x/2: The Relationship between Mixed Coordination, Polyhedral Distortion and the Ionic Conductivity of Ba3MoNbO8.5 | Zendy

Sacha Fop | Zendy; Eve J. Wildman | Zendy; J.M.S. Skakle | Zendy; C. Ritter | Zendy; Abbie C. Mclaughlin | Zendy

Open Access

Electrical and Structural Characterization of Ba₃Mo_1–xNb_1+xO_8.5–x/2: The Relationship between Mixed Coordination, Polyhedral Distortion and the Ionic Conductivity of Ba₃MoNbO_8.5

Author(s) -

Sacha Fop,

Eve J. Wildman,

J.M.S. Skakle,

C. Ritter,

Abbie C. Mclaughlin

Publication year - 2017

Publication title -

inorganic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.348

H-Index - 233

eISSN - 1520-510X

pISSN - 0020-1669

DOI - 10.1021/acs.inorgchem.7b01488

Subject(s) - octahedron , chemistry , crystallography , tetrahedron , ionic bonding , ionic conductivity , electrical resistivity and conductivity , crystal structure , hexagonal crystal system , perovskite (structure) , x ray crystallography , ion , diffraction , electrode , physics , organic chemistry , quantum mechanics , optics , electrolyte

The electrical and structural properties of the series Ba 3 Mo 1-x Nb 1+x O 8.5-x/2 (x = 0.0, 0.1, 0.2, 0.3) have been determined. Ba 3 Mo 1-x Nb 1+x O 8.5-x/2 crystallizes in a hybrid of the 9R hexagonal perovskite and palmierite structures, in which (Mo/Nb)O 4 and (Mo/Nb)O 6 units coexist within the structure. Nb substitutes preferentially at the octahedral site so that the ratio of (Mo/Nb)O 4 etrahedra to (Mo/Nb)O 6 octahedra decreases with increasing x resulting in a reduction in the magnitude of the ionic conductivity from 1.3 × 10 -6 S cm -1 for x = 0.0 to 1.1 × 10 -7 S cm -1 for x = 0.3 at 300 °C. However, upon heating the conductivities of the solid solution converge, which suggests that the unusual thermal structural rearrangement previously reported for Ba 3 MoNbO 8 preserves the high temperature conductivity. The results demonstrate that the presence of (Mo/Nb)O 4 etrahedra with nonbridging apical oxygen atoms is an important prerequisite for the ionic conduction observed in the Ba 3 MoNbO 8.5 system.

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