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000824327 1001_ $$0P:(DE-Juel1)164291$$aSazonov, Andrew$$b0$$eCorresponding author$$ufzj
000824327 245__ $$aThe low-temperature crystal structure of the multiferroic melilite Ca$_{2}$ CoSi$_{2}$ O$_{7}$
000824327 260__ $$aOxford [u.a.]$$bWiley-Blackwell$$c2016
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000824327 520__ $$aIn 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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000824327 7001_ $$0P:(DE-Juel1)164298$$aHutanu, Vladimir$$b1$$ufzj
000824327 7001_ $$0P:(DE-Juel1)164297$$aMeven, Martin$$b2$$ufzj
000824327 7001_ $$0P:(DE-HGF)0$$aRoth, Georg$$b3
000824327 7001_ $$0P:(DE-HGF)0$$aKézsmárki, István$$b4
000824327 7001_ $$0P:(DE-HGF)0$$aMurakawa, Hiroshi$$b5
000824327 7001_ $$0P:(DE-HGF)0$$aTokura, Yoshinori$$b6
000824327 7001_ $$0P:(DE-HGF)0$$aNáfrádi, Bálint$$b7
000824327 773__ $$0PERI:(DE-600)2020841-8$$a10.1107/S2052520615023057$$gVol. 72, no. 1, p. 126 - 132$$n1$$p126 - 132$$tActa crystallographica / B$$v72$$x2052-5206$$y2016
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