Crystallography Open Database





Information card for 7015494

7015493 << 7015494 >> 7015495

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Coordinates

7015494.cif

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 Å3
Cell temperature 14 K
Ambient diffraction temperature 14 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P b a m
Hall symmetry space group -P 2 2ab
Residual factor for all reflections 0.0316
Residual factor for observed reflections 0.0316
Weighted residual factors for the observed reflections 0.0376
Weighted residual factors for all reflections included in the refinement 0.0376
Goodness-of-fit parameter for observed reflections 2.1
Goodness-of-fit parameter for significantly intense reflections 2.1
Diffraction radiation wavelength 0.71069 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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