Crystallography Open Database

Information card for entry 2310791

Preview

Coordinates	2310791.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	zinc pyrophosphate
Chemical name	zinc(II) diphosphate(V)
Formula	O7 P2 Zn2
Calculated formula	O7 P2 Zn2
Title of publication	The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Authors of publication	Stöger, Berthold; Weil, Matthias; Dušek, Michal
Journal of publication	Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
Year of publication	2014
Journal volume	70
Journal issue	3
Pages of publication	539 - 554
a	6.6036 ± 0.0002 Å
b	8.283 ± 0.0002 Å
c	4.525 ± 0.0001 Å
α	90°
β	105.403 ± 0.0013°
γ	90°
Cell volume	238.617 ± 0.011 Å³
Cell temperature	415 K
Ambient diffraction temperature	415 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0342
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for significantly intense reflections	1.59
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
201400 (current)	2017-09-28	cif/2/31/07/ Updating bibliography in entries 2310787-2310795.	2310791.cif
160965	2015-10-08	cif/ Adding structures of 2310787, 2310788, 2310789, 2310790, 2310791, 2310792, 2310793, 2310794, 2310795 via cif-deposit CGI script.	2310791.cif