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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-GaPO4 under the influence of a permanent external electric field. Based on 54 measured reflection intensities, the electric-field-induced distortion of PO4 and GaO4 tetrahedra in alpha-GaPO4 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 PO4 tetrahedron was found compared to the bonds in the GaO4 tetrahedron. The different distortions of the tetrahedra owing to the electric field were analysed in terms of the valence charge density of alpha-GaPO4 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 PO4 tetrahedron to a permanent external electric field

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Author:Semen Gorfman, Vladimir Tsirelson, Andreas Pucher, Wolfgang Morgenroth, Ullrich Pietsch
Document Type:Article
Year of first Publication:2006
Year of Completion:2006
Release Date:2017/03/24
Source:Acta crystallographica / a. - ISSN 0108-7673. - 62 (2006)
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie
Peer Review:Referiert