Crystallography Open Database

Information card for entry 4121447

Preview

Coordinates	4121447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F30 Na4 Ni U6
Calculated formula	F30 Na4.00002 Ni U6
Title of publication	Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.
Authors of publication	Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	10
Pages of publication	3955 - 3963
a	9.8623 ± 0.0006 Å
b	9.8623 ± 0.0006 Å
c	13.0147 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	1096.28 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
179016 (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 4/12/14.	4121447.cif
107782	2014-03-22	cif/ Adding structures of 4121445, 4121446, 4121447, 4121448, 4121449 via cif-deposit CGI script.	4121447.cif