Crystallography Open Database

Information card for entry 4123272

Preview

Coordinates	4123272.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	5.1791 ± 0.0005 Å
b	5.7043 ± 0.0006 Å
c	6.8911 ± 0.0007 Å
α	108.669 ± 0.003°
β	109.922 ± 0.002°
γ	90.332 ± 0.003°
Cell volume	179.82 ± 0.03 Å³
Cell temperature	83 ± 2 K
Ambient diffraction temperature	83 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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.	4123272.cif
130637	2015-02-04	cif/ Updating files of 4123272, 4123273 Original log message: Adding full bibliography for 4123272--4123273.cif.	4123272.cif
129851	2015-01-17	cif/ Adding structures of 4123272 via cif-deposit CGI script.	4123272.cif