Crystallography Open Database

Information card for entry 1548468

Preview

Coordinates	1548468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H0.378 D5.622 I3 N Pb
Calculated formula	C0.498 H0.192 D2.808 I1.5 N0.498 Pb0.499
Title of publication	Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
Authors of publication	P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford
Journal of publication	Scientific Reports
Year of publication	2016
Journal volume	6
Pages of publication	35685
a	6.30649 ± 0.00003 Å
b	6.30649 ± 0.00003 Å
c	6.30649 ± 0.00003 Å
α	90°
β	90°
γ	90°
Cell volume	250.821 ± 0.002 Å³
Ambient diffraction temperature	350 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Goodness-of-fit parameter for all reflections included in the refinement	1.97
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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