Crystallography Open Database

Information card for entry 7714855

Preview

Coordinates	7714855.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	B12 Pt24 Sc5
Formula	B12 Pt24 Sc5
Calculated formula	B12 Pt24 Sc5
Title of publication	Cage compound Sc<sub>5</sub>Pt<sub>24</sub>B<sub>12</sub>: a Pt-stuffed variant of filled skutterudite structure. Electronic and structural properties.
Authors of publication	Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	233 - 244
a	10.2042 ± 0.0006 Å
b	10.2042 ± 0.0006 Å
c	10.2042 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1062.52 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0266
Weighted residual factors for all reflections included in the refinement	0.0273
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
288583 (current)	2024-01-01	cif/ Adding structures of 7714855 via cif-deposit CGI script.	7714855.cif