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| Home > Publications database > The low-temperature crystal structure of the multiferroic melilite Ca$_{2}$ CoSi$_{2}$ O$_{7}$ |
| Journal Article | FZJ-2016-06936 |
; ; ; ; ; ; ;
2016
Wiley-Blackwell
Oxford [u.a.]
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Please use a persistent id in citations: doi:10.1107/S2052520615023057
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).
Keyword(s): Basic research (1st) ; Condensed Matter Physics (2nd) ; Crystallography (2nd) ; Magnetism (2nd)
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