Information card for entry 1519030

Structure parameters

• Formula: K12 Se35 Ta6
• Calculated formula: K12 Se35 Ta6
• SMILES: [Ta]1234(=[Se])[Se]([Se]4)[Ta]56(=[Se])([Se]1([Se]3)[Se]6)([Se]2[Se]5)[Se][Se][Se][Ta]1234(=[Se])[Se]([Se]4)[Ta]56(=[Se])([Se]1([Se]3)[Se]6)([Se]2[Se]5)[Se][Se][Ta]1234(=[Se])[Se]([Se]4)[Ta]56(=[Se])([Se]1([Se]3)[Se]6)([Se]2[Se]5)[Se][Se][Se][Ta]1234(=[Se])[Se]([Se]4)[Ta]56(=[Se])([Se]1([Se]3)[Se]6)([Se]2[Se]5)[Se][Se][Se][Ta]1234(=[Se])[Se]([Se]4)[Ta]56(=[Se])([Se]1([Se]3)[Se]6)([Se]2[Se]5)[Se][Se][Ta]1234(=[Se])[Se]([Se]4)[Ta]56(=[Se])([Se]1([Se]3)[Se]6)([Se]2[Se]5)[Se][Se][Se].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
• Title of publication: New tantalum polychalcogenides with infinite anionic chains : K12Ta6Se35 and KTaTe3
• Authors of publication: Tougait, O.; Ibers, J. A.
• Journal of publication: Solid State Sciences
• Year of publication: 1999
• Journal volume: 1
• Pages of publication: 523 - 534
• a: 8.339 ± 0.0017 Å
• b: 13.259 ± 0.003 Å
• c: 56.023 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6194 ± 2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No