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Structures of Bi14WO24 and Bi14MoO24 from neutron powder diffraction data

, : Structures of Bi14WO24 and Bi14MoO24 from neutron powder diffraction data. Acta Crystallographica. Section B, Structural Science 55(Pt 3): 306-312

The (isomorphous) structures of Bi(14)WO(24), tetradecabismuth tungsten tetracosaoxide, and Bi(14)MoO(24), tetradecabismuth molybdenum tetracosaoxide, have been solved and refined using neutron powder diffraction data in the space group I4/m. The metal-atom array is fully ordered in terms of composition, and in terms of atomic positions deviates only slightly from a fluorite-type delta-Bi(2)O(3)-related parent structure. Three independent O-atom sites (accounting for 70 out of 78 O atoms in the unit cell) are also very close to fluorite-type parent positions. The remaining two O-atom sites, which coordinate W, exhibit partial occupancies and displacive disorder, neither of which could be better modelled by lowering of symmetry. The W site is coordinated by four O atoms in highly distorted tetrahedral coordination, the tetrahedron necessarily being orientationally disordered on that site. Nonetheless, the structure appears to be chemically reasonable.


PMID: 10927371

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