Crystallography Open Database

Information card for entry 2108440

Preview

Coordinates	2108440.cif
Original IUCr paper	HTML

Structure parameters

Formula	Mn13 Na3.94 O26
Calculated formula	Mn13 Na3.936 O26
Title of publication	(Na,Ω)5[MnO2]13 does not have the romanèchite framework: a new tunnel structure determined and refined by EDT and synchrotron powder diffraction.
Authors of publication	Mugnaioli, Enrico; Gemmi, Mauro; Merlini, Marco; Gregorkiewitz, Miguel
Journal of publication	Acta Crystallographica, Section B
Year of publication	2016
Journal volume	72
Journal issue	06
Pages of publication	893 - 903
a	22.6338 Å
b	2.8255 Å
c	14.9075 Å
α	90°
β	104.599°
γ	90°
Cell volume	922.58 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.2389
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for significantly intense reflections	2.1
Goodness-of-fit parameter for all reflections included in the refinement	1.49
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0335 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216842 (current)	2019-07-08	cif/ Adding structures of 2108439, 2108440 via cif-deposit CGI script.	2108440.cif