Home > Publications database > The low-temperature crystal structure of the multiferroic melilite Ca$_{2}$ CoSi$_{2}$ O$_{7}$ > print

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024 7 _ |a 10.1107/S2052520615023057
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100 1 _ |a Sazonov, Andrew
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245 _ _ |a The low-temperature crystal structure of the multiferroic melilite Ca$_{2}$ CoSi$_{2}$ O$_{7}$
260 _ _ |a Oxford [u.a.]
|c 2016
|b Wiley-Blackwell
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520 _ _ |a 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).
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700 1 _ |a Hutanu, Vladimir
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700 1 _ |a Meven, Martin
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700 1 _ |a Roth, Georg
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700 1 _ |a Kézsmárki, István
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700 1 _ |a Murakawa, Hiroshi
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700 1 _ |a Tokura, Yoshinori
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700 1 _ |a Náfrádi, Bálint
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773 _ _ |a 10.1107/S2052520615023057
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