Crystallography Open Database

Information card for entry 2104964

Preview

Coordinates	2104964.cif
Original IUCr paper	HTML

Structure parameters

Formula	Na O3 Ti1.25
Calculated formula	Na0.5 O4.5 Ti1.5
Title of publication	Structure analysis of titanate nanorods by automated electron diffraction tomography
Authors of publication	Andrusenko, Iryna; Mugnaioli, Enrico; Gorelik, Tatiana E.; Koll, Dominik; Panthöfer, Martin; Tremel, Wolfgang; Kolb, Ute
Journal of publication	Acta Crystallographica Section B
Year of publication	2011
Journal volume	67
Journal issue	3
Pages of publication	218 - 225
a	21.555 ± 0.007 Å
b	3.7583 ± 0.0009 Å
c	11.926 ± 0.005 Å
α	90°
β	136.14 ± 0.02°
γ	90°
Cell volume	669.4 ± 0.5 Å³
Ambient diffraction temperature	295 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	0.2679
Residual factor for significantly intense reflections	0.2665
Weighted residual factors for significantly intense reflections	0.5834
Weighted residual factors for all reflections included in the refinement	0.5921
Goodness-of-fit parameter for all reflections included in the refinement	3.725
Diffraction radiation wavelength	0.0197 Å
Diffraction radiation type	electron
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.	2104964.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2104964.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2104964.cif
22379	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 2104964 via cif-deposit CGI script.	2104964.cif