Crystallography Open Database

Information card for entry 1543108

Preview

Coordinates	1543108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7.5 N1.5 O6.5 Zn
Calculated formula	C3 H7.5 N1.5 O6.5 Zn
Title of publication	Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3
Authors of publication	Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	8
Pages of publication	5108
a	8.61779 ± 0.00012 Å
b	7.73073 ± 0.0001 Å
c	11.50052 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	766.185 ± 0.018 Å³
Cell temperature	119.8 ± 0.6 K
Ambient diffraction temperature	119.8 ± 0.6 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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

Version history

Revision	Date	Message	Files
185163 (current)	2016-08-07	cif/ Updating files of 1543107, 1543108 Original log message: Adding full bibliography for 1543107--1543108.cif.	1543108.cif
182059	2016-04-13	cif/ Adding structures of 1543107, 1543108 via cif-deposit CGI script.	1543108.cif