Origin of forbidden reflections in multiferroic Ba2_2CoGe2_2O7_7 by neutron diffraction: Symmetry lowering or Renninger effect?

preprint2015arXivOpen access

Abstract

For a symmetry consistent theoretical description of the multiferroic phase of Ba2_2CoGe2_2O7_7 a precise knowledge of its crystal structure is a prerequisite. In our previous synchrotron X-ray diffraction experiment on multiferroic Ba2_2CoGe2_2O7_7 at room temperature we found forbidden reflections that favour the tetragonal-to-orthorhombic symmetry lowering of the titled compound. Here, we report the results of room-temperature single-crystal diffraction studies with both hot and cold neutrons to differentiate between the real symmetry lowering and multiple diffraction (the Renninger effect). A comparison of the experimental multiple diffraction patterns with simulated ones rules out the symmetry lowering. Thus, the structural model based on the tetragonal space group P4ˉ21mP\bar{4}2_1m was selected to describe the Ba2_2CoGe2_2O7_7 symmetry at room temperature. The precise structural parameters from neutron diffraction at 300K are presented and compared with the previous X-ray diffraction results.

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