Crystallography Open Database

Information card for entry 7015449

Preview

Coordinates	7015449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H6 I3 N Sn
Calculated formula	I3 Sn
Title of publication	Charge-transport in tin-iodide perovskite CH(3)NH(3)SnI(3): origin of high conductivity.
Authors of publication	Takahashi, Yukari; Obara, Rena; Lin, Zheng-Zhong; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu; Ishibashi, Shoji; Terakura, Kiyoyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	20
Pages of publication	5563 - 5568
a	8.7271 ± 0.0008 Å
b	8.7271 ± 0.0008 Å
c	12.5022 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	952.2 ± 0.17 Å³
Cell temperature	140.1 K
Ambient diffraction temperature	140 K
Number of distinct elements	5
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.2681
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7015449.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015449.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015449.cif
21152	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015448, 7015449 via cif-deposit CGI script.	7015449.cif