Abstract
The crystal structures of Bi 2Ru 2O 7 and Bi 1.6M 0.4 Ru 2 O 7 (M= Cu,Co) pyrochlores are determined by Rietveld refinement of neutron powder diffraction data collected between 300 and 12 K . An appreciable oxygen non-stoichiometry, with no vacancy ordering, is found only in undoped Bi 2Ru 2O 7. 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 Bi 2Ru 2O 7, and is proposed to be a common feature of A 2 B 2O 7 pyrochlores having a lone electronic pair on the A-site cation. The electronic properties of Bi 2Ru 2O 7 are discussed in terms of calculated electronic band structure, local ruthenium coordination, and the static bismuth displacement.
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