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Bi5O7Br and its structural relation to alpha-Bi5O7I.

E Keller1, V Krämer

  • 1Kristallographisches Institut, Albert-Ludwigs-Universität Freiburg, Hermann-Herder-Strasse 5, D-79104 Freiburg, Germany. egbert.keller@krist.uni-freiburg.de

Acta Crystallographica. Section C, Crystal Structure Communications
|December 7, 2007
PubMed
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Pentabismuth heptoxide bromide (Bi5O7Br) crystallizes in a new space group, Cmca, differing from related bismuth oxyhalides. This structural difference is attributed to the distinct sizes of bromide and iodide ions within rigid bismuth-oxygen frameworks.

Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Solid-State Chemistry

Background:

  • Bismuth oxyhalides exhibit diverse crystal structures.
  • The relationship between halide size and crystal packing in these materials is not fully understood.
  • Previous studies have characterized related compounds like alpha-Bi5O7I.

Purpose of the Study:

  • To determine the crystal structure of pentabismuth heptoxide bromide (Bi5O7Br).
  • To compare the structure of Bi5O7Br with the related alpha-Bi5O7I.
  • To elucidate the factors influencing the observed structural differences.

Main Methods:

  • Single-crystal X-ray diffraction was used to determine the crystal structure.
  • Detailed synthesis procedures for Bi5O7Br were established.

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  • Comparative crystallographic analysis was performed.

    • Main Results:

    • Pentabismuth heptoxide bromide (Bi5O7Br) crystallizes in the Cmca space group.
    • The structure of Bi5O7Br was found to be closely related to, but distinct from, the Ibca structure of alpha-Bi5O7I.
    • The difference in space group is proposed to result from a compromise between halide ion size and the rigidity of the [Bi, O] frameworks.

    Conclusions:

    • The crystal structure of Bi5O7Br is elucidated and characterized.
    • The study provides insights into structure-property relationships in bismuth oxyhalides.
    • The findings highlight the influence of halide substitution on crystal symmetry and packing.