Crystallography Open Database

Information card for entry 2102944

Preview

Coordinates	2102944.cif
Original IUCr paper	HTML

Structure parameters

Formula	Fe0.91 S
SMILES	[Fe+2].[S-2]
Title of publication	Revision of pyrrhotite structures within a common superspace model
Authors of publication	Izaola, Zunbeltz; González, Santiago; Elcoro, Luis; Perez-Mato, J. M.; Madariaga, Gotzon; García, Alberto
Journal of publication	Acta Crystallographica Section B
Year of publication	2007
Journal volume	63
Journal issue	5
Pages of publication	693 - 702
a	6.892 ± 0.001 Å
b	11.952 ± 0.001 Å
c	5.744 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	473.15 ± 0.11 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	2
Hermann-Mauguin space group symbol	(000 ???
Residual factor for all reflections	0.1419
Residual factor for significantly intense reflections	0.1152
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	4.81
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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