The low-temperature crystal structure of the multiferroic melilite Ca2CoSi2O7

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
Andrew SazonovBálint Náfrádi

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 P2(1)2(1)2 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 P42(1)m, 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).

References

May 25, 2001·Acta Crystallographica. Section B, Structural Science·K HagiyaK Iishi
Jul 15, 2006·Acta Crystallographica. Section B, Structural Science·Z H JiaH Rager
Apr 14, 2011·Acta Crystallographica. Section A, Foundations of Crystallography·J Manuel Perez-Mato, Jose Luis Ribeiro

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Citations

Oct 6, 2017·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·C Hejny, L Bindi

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