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Ionic Crystal Structures

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X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
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Structures of Bi14WO24 and Bi14MoO24 from neutron powder diffraction data.

Ling1, Withers, Thompson

  • 1Research School of Chemistry, Australian National University, Canberra, ACT 0200, Australia. ling@rsc.anu.edu.au

Acta Crystallographica. Section B, Structural Science
|August 6, 2000
PubMed
Summary

The crystal structures of tetradecabismuth tungsten tetracosaoxide (Bi14WO24) and tetradecabismuth molybdenum tetracosaoxide (Bi14MoO24) were determined using neutron powder diffraction. Both compounds exhibit a disordered, fluorite-related structure with partially occupied oxygen sites.

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Area of Science:

  • Solid-state chemistry
  • Crystallography
  • Materials science

Background:

  • Bismuth tungstate and molybdate compounds are of interest for their diverse properties.
  • Understanding their crystal structures is crucial for predicting and tuning their behavior.
  • Previous structural data for these specific compounds were limited.

Purpose of the Study:

  • To determine and refine the crystal structures of Bi14WO24 and Bi14MoO24.
  • To investigate the atomic arrangement and bonding characteristics.
  • To compare their structures to related fluorite-type materials.

Main Methods:

  • Neutron powder diffraction was employed for data collection.
  • The structures were solved and refined using the space group I4/m.
  • Rietveld refinement techniques were utilized.

Main Results:

  • Isomorphous structures were identified for both Bi14WO24 and Bi14MoO24.
  • The metal-atom arrays are fully ordered and closely resemble a fluorite-type parent structure.
  • Partially occupied oxygen sites with displacive disorder were observed, particularly around the tungsten site, without requiring lower symmetry.

Conclusions:

  • The determined structures are chemically reasonable and consistent with related materials.
  • The observed disorder provides insights into the flexibility and potential reactivity of these compounds.
  • The findings contribute to the understanding of complex bismuth oxy-salts.