X-ray structure of barium titanate - missed opportunities.
Anomalous X-ray scattering effects are quite extensive in the noncentrosymmetric ferroelectric structure of barium titanate, and typical estimates for three published X-ray diffraction experiments are computed. These data show that the Bijvoet pairs should not be averaged before least-squares refinement for this polar crystal with small atomic displacements from a higher symmetric space group.
Chandrasekaran
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KS
Mohanlal
S K
SK
Saravanan
R
R
Israel
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