X-ray diffraction by a crystal in a permanent external electric field: electric-field-induced structural response in alpha-GaPO4.

For the first time, site-selective distortion has been investigated for two different structural units in the ternary compound alpha-GaPO(4) under the influence of a permanent external electric field. Based on 54 measured reflection intensities, the electric-field-induced distortion of PO(4) and GaO(4) tetrahedra in alpha-GaPO(4) crystals is evaluated using a model of pseudoatomic displacements introduced recently [Gorfman, Tsirelson & Pietsch (2005). Acta Cryst. A61, 387-396]. A stronger variation of the P-O bond lengths in the PO(4) tetrahedron was found compared to the bonds in the GaO(4) tetrahedron. The different distortions of the tetrahedra owing to the electric field were analysed in terms of the valence charge density of alpha-GaPO(4) and its topological characteristics. The larger charge of the P pseudoatom compared to the Ga atom was recognized as the main reason for the higher sensitivity of the PO(4) tetrahedron to a permanent external electric field.