Crystallography Open Database

Information card for entry 1543107

Preview

Coordinates	1543107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 N2 O6 Zn
Calculated formula	C3 H8 N2 O6 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	8.6706 ± 0.0002 Å
b	7.72008 ± 0.00019 Å
c	11.4872 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	768.93 ± 0.03 Å³
Cell temperature	123 ± 3 K
Ambient diffraction temperature	123 ± 3 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	0.0299
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
185163 (current)	2016-08-07	cif/ Updating files of 1543107, 1543108 Original log message: Adding full bibliography for 1543107--1543108.cif.	1543107.cif
182059	2016-04-13	cif/ Adding structures of 1543107, 1543108 via cif-deposit CGI script.	1543107.cif