The low-temperature crystal structure of the multiferroic melilite Ca2CoSi2O7

  • In the antiferromagnetic ground state, below TN [asymptotically equal to] 5.7 K, Ca2CoSi2O7 exhibits strong magnetoelectric coupling. For a symmetry-consistent theoretical description of this multiferroic phase, precise knowledge of its crystal structure is a prerequisite. Here we report the results of single-crystal neutron diffraction on Ca2CoSi2O7 at temperatures between 10 and 250 K. The low-temperature structure at 10 K was refined assuming twinning in the orthorhombic space group P21212 with a 3 × 3 × 1 supercell [a = 23.52 (1), b = 23.52 (1), c = 5.030 (3) Å] compared with the high-temperature normal state [tetragonal space group P\overline {4}2_{1}m, a = b [asymptotically equal to] 7.86, c [asymptotically equal to] 5.03 Å]. The precise structural parameters of Ca2CoSi2O7 at 10 K are presented and compared with the literature X-ray diffraction results at 130 and 170 K (low-temperature commensurate phase), as well as at ~ 500 K (high-temperature normal phase).

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Author:Andrew Sazonov, Vladimir Hutanu, Martin Meven, Georg Roth, István KézsmárkiORCiDGND, Hiroshi Murakawa, Yoshinori Tokura, Bálint Náfrádi
Frontdoor URL
Parent Title (English):Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Publisher:International Union of Crystallography (IUCr)
Year of first Publication:2016
Publishing Institution:Universität Augsburg
Release Date:2018/11/16
First Page:126
Last Page:132
Institutes:Mathematisch-Naturwissenschaftlich-Technische Fakultät
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Experimentalphysik V
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Licence (German):Deutsches Urheberrecht