Crystallography Open Database

Information card for entry 2021887

2021886 << 2021887 >> 2021888

Preview

Coordinates	2021887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pentafluorooxovanadium
Chemical name	pentafluorooxovanadium
Formula	F5 H12 N3 O V
Calculated formula	F6 N3 V
Title of publication	Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Authors of publication	Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Journal of publication	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Year of publication	2017
Journal volume	73
Journal issue	6
Pages of publication	1085
a	6.2986 ± 0.0003 Å
b	9.1638 ± 0.0004 Å
c	18.9044 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1091.15 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
246112 (current)	2019-12-26	cif/ Adding structures of 2021886, 2021887, 2021888 via cif-deposit CGI script.	2021887.cif