Crystallography Open Database

Information card for entry 1562869

Preview

Coordinates	1562869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al20 Pr0.89 V2
Calculated formula	Al20 Pr0.886 V2.002
Title of publication	Structure and physical properties of single crystal PrCr2Al20 and CeM2Al20 (M=V, Cr): A comparison of compounds adopting the CeCr2Al20 structure type
Authors of publication	Kangas, Michael J.; Schmitt, Devin C.; Sakai, Akito; Nakatsuji, Satoru; Chan, Julia Y.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	196
Pages of publication	274 - 281
a	14.567 ± 0.003 Å
b	14.567 ± 0.003 Å
c	14.567 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3091.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0191
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0317
Weighted residual factors for all reflections included in the refinement	0.0328
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
265502 (current)	2021-05-26	cif/ Adding structures of 1562862, 1562863, 1562864, 1562865, 1562866, 1562867, 1562868, 1562869, 1562870, 1562871, 1562872, 1562873, 1562874, 1562875 via cif-deposit CGI script.	1562869.cif