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Title: Static disorder from lone-pair electrons in Bi2−xMxRu2O7−y(M=Cu,Co;x=0,0.4) pyrochlores
Authors: Avdeev, M
Haas, MK
Jorgensen, JD
Cava, RJ
Keywords: Pyrochlore
Neutron diffraction
Crystal structure
Issue Date: 15-Nov-2002
Publisher: Elsevier
Citation: Avdeev, M., Haas, M. K., Jorgensen, J. D., & Cava, R. J. (2002). Static disorder from lone-pair electrons in Bi2−xMxRu2O7−y(M=Cu,Co;x=0,0.4) pyrochlores. Journal of Solid State Chemistry, 169, 1, 24-34, doi:10.1016/S0022-4596(02)00007-5.
Abstract: The crystal structures of Bi2Ru2O7 and Bi1.6M0.4Ru2O7(M=Cu,Co) pyrochlores are determined by Rietveld refinement of neutron powder diffraction data collected between 300 and 12K. An appreciable oxygen non-stoichiometry, with no vacancy ordering, is found only in undoped Bi2Ru2O7. In all three compounds, static displacive disorder of both the Bi and O′ sites is observed. This type of disorder has not been reported previously for Bi2Ru2O7, and is proposed to be a common feature of A2B2O7 pyrochlores having a lone electronic pair on the A-site cation. The electronic properties of Bi2Ru2O7 are discussed in terms of calculated electronic band structure, local ruthenium coordination, and the static bismuth displacement. © 2002 Elsevier Science (USA)
ISSN: 0022-4596
Appears in Collections:Journal Articles

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