Structural refinement of the high temperature form of Bi[sub 2]MoO[sub 6]
- Univ. of Delaware, Newark, DE (United States)
- Brookhaven National Lab., Upton, NY (United States)
- Purdue Univ., West Lafayette, IN (United States)
The structure of the high temperature polymorph of Bi[sub 2]MoO[sub 6] has been determined by Rietveld powder refinement of high-resolution neutron diffraction data from the H1A diffractometer at the Brookhaven HFBR (high flux beam reactor). The cation distribution forms a fluorite-related supercell with infinite channels of bismuth polyhedra surrounded by molybdenum tetrahedra, in agreement with previously proposed models. The structure is refined in the monoclinic space group P2[sub 1]/c to R[sub wp] = 17.2627(1) [angstrom], b = 22.4296(2) [angstrom], c = 5.58489(5) [angstrom], [beta] = 90.4974(6)[degrees], Z = 16. Bond valence sums and site potentials have been calculated which reveal evidence for significant charge transfer in this structure. The relationship of this phase to other catalytically-active bismuth molybdates is discussed.
- DOE Contract Number:
- AC02-76CH00016
- OSTI ID:
- 7073082
- Journal Information:
- Journal of Solid State Chemistry; (United States), Journal Name: Journal of Solid State Chemistry; (United States) Vol. 111:1; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360202* -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
BISMUTH COMPOUNDS
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
LATTICE PARAMETERS
MOLYBDATES
MOLYBDENUM COMPOUNDS
MONOCLINIC LATTICES
NEUTRON DIFFRACTION
OXYGEN COMPOUNDS
REFRACTORY METAL COMPOUNDS
SCATTERING
TRANSITION ELEMENT COMPOUNDS