Crystallography Open Database

Information card for entry 7135190

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Coordinates	7135190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.99 Fe I3 Pb
Calculated formula	C9.996 Fe I3 Pb
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	10.9271 ± 0.0006 Å
b	10.9271 ± 0.0006 Å
c	8.1291 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	840.59 ± 0.07 Å³
Cell temperature	372.98 ± 0.16 K
Ambient diffraction temperature	372.98 ± 0.16 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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