Crystallography Open Database

Information card for entry 7015494

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Coordinates	7015494.cif
Original paper (by DOI)	HTML

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
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 F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7015494.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015494.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015494.cif
21172	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015494 via cif-deposit CGI script.	7015494.cif