The role of the coordination defect (CD) in the structures of anion-deficient, fluorite-related compounds

The various superstructure phases that occur with the anion-deficient compositions of binary oxides MO(2-x) with the fluorite structure as parent are explored here in terms of the original 'coordination defect' (or CD) concept in which each vacant oxygen site, □, is 'coordinated'...

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Bibliographic Details
Published in:Acta crystallographica. Section B, Structural science Structural science, 2013-02, Vol.69 (Pt 1), p.17-29
Main Authors: Bevan, D J M, Martin, Lisandra L, Martin, Raymond L
Format: Article
Language:English
Subjects:
Atomic structure
Crystal defects
Crystal structure
Crystallography
Oxides
Parents
Phases
Polygons
Superstructures
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Summary:The various superstructure phases that occur with the anion-deficient compositions of binary oxides MO(2-x) with the fluorite structure as parent are explored here in terms of the original 'coordination defect' (or CD) concept in which each vacant oxygen site, □, is 'coordinated' by six O atoms thereby creating the octahedral 'structure-determining' entity [M(3.5)□O(6)]. It emerges that the structure and composition of each anion-deficient (polymorph) phase can be described in terms of crystallographic `motifs' which comprise sets of parallel coplanar polygons based on ½ (F) and ½ (F) CD linkages.
ISSN:2052-5192
0108-7681
1600-5740
2052-5206
DOI:10.1107/S0108768112051105