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The oxide pyrochlore Bi$_2$Ti$_2$O$_6$O$^\prime$ is known to be associatedwith large displacements of Bi and O$^\prime$ atoms from their idealcrystallographic positions. Neutron total scattering, analyzed in bothreciprocal and real space, is employed here to understand the nature of thesedisplacements. Rietveld analysis and maximum entropy methods are used toproduce an average picture of the structural non-ideality. Local structure ismodeled via large-box reverse Monte Carlo simulations constrainedsimultaneously by the Bragg profile and real-space pair distribution function.Direct visualization and statistical analyses of these models show the precisenature of the static Bi and O$^\prime$ displacements. Correlations betweenneighboring Bi displacements are analyzed using coordinates from the large-boxsimulations. The framework of continuous symmetry measures has been applied todistributions of O$^\prime$Bi$_4$ tetrahedra to examine deviations fromideality. Bi displacements from ideal positions appear correlated over locallength scales. The results are consistent with the idea that these nonmagneticlone-pair containing pyrochlore compounds can be regarded as highlystructurally frustrated systems.

Atomic displacements in the "charge-ice" pyrochlore Bi2Ti2O7 studied by neutron total scattering