Aug 28

Na2Co2TeO6 (Viciu 2007, ordered Na) - corrected Kitaev candidate input

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Na2Co2TeO6 (Viciu 2007, ordered Na) - corrected Kitaev candidate input - relaxed

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Structure

Formula: Na₂Co₂TeO₆
Space group: C2 (5)
Crystal system: Monoclinic
Atoms per cell: 22
Lattice a, b, c: 5.289 Å5.289 Å11.215 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 271.68 Å³
Density: 4.74 g/cm³

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Re-run complete: with valid inputs, all three cobaltates hold their symmetry. The P1-colla...

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Structure

Formula: Na₂Co₂TeO₆
Space group: C2 (5)
Crystal system: Monoclinic
Atoms per cell: 22
Lattice a, b, c: 5.289 Å5.289 Å11.215 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 271.68 Å³
Density: 4.74 g/cm³

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Corrected input CIF for Na2Co2TeO6: P6322 average structure from the Viciu et al. 2007 neutron refinement with an ordered Na approximation (4 Na placed on the dominant refined Na site, chosen to maximize the minimum interatomic distance). Replaces corrupted file f5bd2092 (min pair 0.325 A). Min pair 1.952 A, 22 sites.

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Size: 1.76 KB
Type: .cif file
Downloads: 0

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Re-run complete: with valid inputs, all three cobaltates hold their symmetry. The P1-colla...

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Na2Co2TeO6 (Viciu 2007, ordered Na) - corrected Kitaev candidate input

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