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Crystal structures of some fluorite-related M/sub 7/O/sub 12/ compounds

Journal Article · · J. Solid State Chem.; (United States)
Powder X-ray diffraction techniques have been used to determine the crystal structures of Ti/sub 3/Sc/sub 4/O/sub 12/, Nb/sub 1/./sub 5/Sc/sub 5/./sub 5/O/sub 12/, NbSc/sub 6/O/sub 11/F, NbSc/sub 5/HfO/sub 12/, Zr/sub 3/Er/sub 4/O/sub 12/, and Hf/sub 3/Sc/sub 4/O/sub 12/ and to reexamine the structures of Zr/sub 3/Sc/sub 4/O/sub 12/ and Zr/sub 3/Yb/sub 4/O/sub 12/. All the compounds have the same fluorite-related superstructure as reported previously for Pr/sub 7/O/sub 12/, UY/sub 6/O/sub 12/, Zr/sub 3/Sc/sub 4/O/sub 12/, and Zr/sub 3/Yb/sub 4/O/sub 12/. Most of the compounds exhibit cation ordering, a situation observed previously only in UY/sub 6/O/sub 12/. One-seventh of the cations occupy a set of special sites of symmetry 3 and are octahedrally coordinated by oxygen. These cations are of the type that has the smallest available ionic radius. The remaining cations occupy a set of general sites randomly with respect to atom type and are sevenfold coordinated by oxygen. In Hf/sub 3/Sc/sub 4/O/sub 12/, only partial ordering of this nature occurs, while it is confirmed that no cation ordering occurs in Zr/sub 3/Sc/sub 4/O/sub 12/. Some aspects of the cation order-disorder situation are discussed.
Research Organization:
CSIRO, Melbourne
OSTI ID:
7317788
Journal Information:
J. Solid State Chem.; (United States), Journal Name: J. Solid State Chem.; (United States) Vol. 19:2; ISSN JSSCB
Country of Publication:
United States
Language:
English