Information card for entry 7015494

Structure parameters

• Formula: Cl1.017 Cu La Nb2 O7
• Calculated formula: Cl1.017 Cu La Nb2 O7
• Title of publication: First single-crystal synthesis and low-temperature structural determination of the quasi-2D quantum spin compound (CuCl)LaNb2O7.
• Authors of publication: Hernandez, Olivier J.; Tassel, Cédric; Nakano, Kunihiro; Paulus, Werner; Ritter, Clemens; Collet, Eric; Kitada, Atsushi; Yoshimura, Kazuyoshi; Kageyama, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4605 - 4613
• a: 7.7454 ± 0.0002 Å
• b: 7.74872 ± 0.00017 Å
• c: 11.7132 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 702.99 ± 0.03 ų
• Cell temperature: 14 K
• Ambient diffraction temperature: 14 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0376
• Goodness-of-fit parameter for significantly intense reflections: 2.1
• Goodness-of-fit parameter for all reflections included in the refinement: 2.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No