Crystallography Open Database

Information card for entry 7237622

Preview

Coordinates	7237622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H15 Bi2 I9 N6
Calculated formula	C3 H17.9997 Bi2 I9 N5.9994
Title of publication	Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9
Authors of publication	Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	10
Pages of publication	3003
a	8.7119 ± 0.0002 Å
b	8.7119 ± 0.0002 Å
c	22.0141 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1446.96 ± 0.08 Å³
Cell temperature	219.8 ± 0.4 K
Ambient diffraction temperature	219.8 ± 0.4 K
Number of distinct elements	5
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.257
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237813 (current)	2019-11-24	cif/ Adding structures of 7237621, 7237622 via cif-deposit CGI script.	7237622.cif