Crystallography Open Database

Information card for entry 4312740

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Coordinates	4312740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl16 Nb10 O7
Calculated formula	Cl16 Nb9.988 O6.994
Title of publication	A Novel Layered Niobium Oxychloride Compound Based on Nb2 Pairs and Nb6 Octahedral Clusters: Synthesis and Crystal and Electronic Structures of Nb10Cl16O7
Authors of publication	Stéphane Cordier; Fakhili Gulo; Thierry Roisnel; Régis Gautier; Boris le Guennic; Jean François Halet; Christiane Perrin
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8320 - 8327
a	17.646 ± 0.005 Å
b	3.264 ± 0.005 Å
c	12.893 ± 0.005 Å
α	90°
β	121.243 ± 0.005°
γ	90°
Cell volume	634.9 ± 1 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.217
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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