The crystal structure of Bi4O5I2 and its relation to the structure of Bi4O5Br2

Keller, E.; Kramer, V.; Schmidt, M.; Oppermann, H.

doi:10.1524/zkri.217.6.256.22811

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The crystal structure of Bi₄O₅I₂ and its relation to the structure of Bi₄O₅Br₂

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Schmidt, M.
Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Keller, E., Kramer, V., Schmidt, M., & Oppermann, H. (2002). The crystal structure of Bi₄O₅I₂ and its relation to the structure of Bi₄O₅Br₂. Zeitschrift für Kristallographie, 217(6), 256-264. doi:10.1524/zkri.217.6.256.22811.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0015-31E7-2

Abstract

The crystal structure of Bi4O5I2 has been solved from a 3: 1 twinned crystal; accurate lattice parameters have been determined by a Rietveld refinement. Bi4O5I2 crystallizes with space group P2(1) (no.4), Z = 4, a = 14.944(1), b = 5.6983(3), c = 11.263(1) Angstrom, beta = 99.81(1)degrees. Its structure is isotypic to the structure of the homologous Bi4O5Br2 for which more reliable lattice parameters have been determined by a Rietveld refinement. The effects of replacement of Br by I on the structure are discussed and compared with corresponding effects in the BiOX family (X = Cl, Br, 1). A structural reason for the deviation of the twin supercells of the two compounds from orthogonality is discussed.