Abstract
The crystal structure of BaTi2O5 in metastable β-state synthesized by the containerless method is derived at the charge density levels by analyzing high-energy synchrotron-radiation powder-diffraction data. The characteristic features are revealed in terms of chemical bonding of the two types of Ti–O polyhedra with fivefold oxygen coordination: a trigonal-bipyramid-type Ti–O5 and a square-pyramid-type Ti–O5. We consider that the structures of metastable states observed in BaTi2O5, including the glass, are distinguished by the formation of the Ti–O5 trigonal bipyramid.
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