Crystallography Open Database

Information card for entry 7135191

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Coordinates	7135191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 Fe I3
Calculated formula	C9.9996 Fe I3
Title of publication	A low-dimensional ferrocenium lead-iodide perovskite ferroelastic with a narrow band gap.
Authors of publication	Xu, Zhe-Kun; Wang, Zhong-Xia
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	81
Pages of publication	15810 - 15813
a	8.5305 ± 0.0004 Å
b	8.5305 ± 0.0004 Å
c	17.0548 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1074.8 ± 0.1 Å³
Cell temperature	299.98 ± 0.1 K
Ambient diffraction temperature	299.98 ± 0.1 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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