Crystallography Open Database

Information card for entry 7047198

Preview

Coordinates	7047198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Pd4 Sc5 Si6
Calculated formula	Pd4 Sc5 Si6
Title of publication	Sc<sub>5</sub>Pd<sub>4</sub>Si<sub>6</sub>- crystal structure and <sup>29</sup>Si/<sup>45</sup>Sc solid state MAS NMR spectroscopic investigations.
Authors of publication	Schubert, Lea; Doerenkamp, Carsten; Haverkamp, Sandra; Heletta, Lukas; Eckert, Hellmut; Pöttgen, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	37
Pages of publication	13025 - 13031
a	3.9767 ± 0.0003 Å
b	9.4598 ± 0.0007 Å
c	13.159 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	495.03 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
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	0.0124
Residual factor for significantly intense reflections	0.0096
Weighted residual factors for significantly intense reflections	0.0235
Weighted residual factors for all reflections included in the refinement	0.0245
Goodness-of-fit parameter for significantly intense reflections	0.97
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71359 Å
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229289 (current)	2019-11-17	cif/ Updating files of 7047198 Original log message: Adding full bibliography for 7047198.cif.	7047198.cif
209349	2018-08-02	cif/ Adding structures of 7047198 via cif-deposit CGI script.	7047198.cif