Crystallography Open Database

Information card for entry 4123273

Preview

Coordinates	4123273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F3 Nb2 O2
Calculated formula	F3 Nb2 O2
Title of publication	Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.
Authors of publication	Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	2
Pages of publication	636 - 639
a	5.7048 ± 0.0001 Å
b	5.161 ± 0.0001 Å
c	12.2285 ± 0.0002 Å
α	90°
β	95.751 ± 0.001°
γ	90°
Cell volume	358.225 ± 0.011 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0128
Residual factor for significantly intense reflections	0.0121
Weighted residual factors for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.0343
Goodness-of-fit parameter for all reflections included in the refinement	1.24
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
179034 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32.	4123273.cif
130637	2015-02-04	cif/ Updating files of 4123272, 4123273 Original log message: Adding full bibliography for 4123272--4123273.cif.	4123273.cif
129852	2015-01-17	cif/ Adding structures of 4123273 via cif-deposit CGI script.	4123273.cif