Crystallography Open Database

Information card for entry 2104683

Preview

Coordinates	2104683.cif
Original IUCr paper	HTML

Structure parameters

Formula	Cr2 O7 P2
Calculated formula	Cr2.1692 O7.3366 P1.9996
Title of publication	Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM)
Authors of publication	Li, Liang; Schönleber, Andreas; van Smaalen, Sander
Journal of publication	Acta Crystallographica Section B
Year of publication	2010
Journal volume	66
Journal issue	2
Pages of publication	130 - 140
a	7.0192 Å
b	8.4063 Å
c	4.6264 Å
α	90°
β	108.611°
γ	90°
Cell volume	258.708 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	C2/m(\a0\g)-1s
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.58
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2104683.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2104683.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2104683.cif
1146	2010-05-03	cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition.	2104683.cif