The low-Temperature crystal structure of the multiferroic melilite Ca2CoSi2O7

Andrew Sazonov, Vladimir Hutanu, Martin Meven, Georg Roth, István Kézsmárki, Hiroshi Murakawa, Yoshinori Tokura, Bálint Náfrádi

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

In the antiferromagnetic ground state, below TN ≃ 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, a = b ≃ 7.86, c ≃ 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).The crystal structure of the multiferroic melilite Ca2CoSi2O7 is determined by means of single-crystal neutron diffraction at 10 K.

Original languageEnglish
Pages (from-to)126-132
Number of pages7
JournalActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Volume72
Issue number1
DOIs
Publication statusPublished - Feb 1 2016

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neutron diffraction
Crystal structure
crystal structure
single crystals
twinning
Neutron diffraction
Temperature
ground state
Single crystals
symmetry
diffraction
Twinning
x rays
Ground state
temperature
X ray diffraction

Keywords

  • magnetoelectric coupling
  • multiferroic melilite
  • single-crystal neutron diffraction
  • twinning

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Metals and Alloys
  • Atomic and Molecular Physics, and Optics

Cite this

The low-Temperature crystal structure of the multiferroic melilite Ca2CoSi2O7 . / Sazonov, Andrew; Hutanu, Vladimir; Meven, Martin; Roth, Georg; Kézsmárki, István; Murakawa, Hiroshi; Tokura, Yoshinori; Náfrádi, Bálint.

In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 72, No. 1, 01.02.2016, p. 126-132.

Research output: Contribution to journalArticle

Sazonov, Andrew ; Hutanu, Vladimir ; Meven, Martin ; Roth, Georg ; Kézsmárki, István ; Murakawa, Hiroshi ; Tokura, Yoshinori ; Náfrádi, Bálint. / The low-Temperature crystal structure of the multiferroic melilite Ca2CoSi2O7 In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2016 ; Vol. 72, No. 1. pp. 126-132.
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