Crystallography Open Database

Information card for entry 1552521

Preview

Coordinates	1552521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al3 Ca Pd2
Calculated formula	Al3 Ca Pd2
Title of publication	Temperature induced valence phase transition in intermediate-valent YbPd2Al3
Authors of publication	Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver
Journal of publication	Chemical Science
Year of publication	2019
a	9.3628 ± 0.0006 Å
b	9.3628 ± 0.0003 Å
c	4.2396 Å
α	90°
β	90°
γ	120°
Cell volume	321.86 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.0098
Residual factor for significantly intense reflections	0.0069
Weighted residual factors for significantly intense reflections	0.0186
Weighted residual factors for all reflections included in the refinement	0.02
Goodness-of-fit parameter for significantly intense reflections	0.83
Goodness-of-fit parameter for all reflections included in the refinement	0.84
Diffraction radiation probe	x-ray
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
220521 (current)	2019-10-30	cif/ Adding structures of 1552521, 1552522, 1552523, 1552524, 1552525, 1552526, 1552527, 1552528, 1552529, 1552530, 1552531, 1552532 via cif-deposit CGI script.	1552521.cif