Crystallography Open Database

Information card for entry 7039606

Preview

Coordinates	7039606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba1.98 Ni8 Sb12.24 Sn11.76
Calculated formula	Ba1.978 Ni8 Sb12.24 Sn11.76
Title of publication	Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.
Authors of publication	Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	11071 - 11100
a	9.1854 ± 0.0002 Å
b	9.1854 ± 0.0002 Å
c	9.1854 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	774.99 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0176
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.0414
Goodness-of-fit parameter for all reflections included in the refinement	1.422
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185390 (current)	2016-08-07	cif/ Updating files of 7039602, 7039603, 7039604, 7039605, 7039606, 7039607 Original log message: Adding full bibliography for 7039602--7039607.cif.	7039606.cif
183864	2016-06-23	cif/ Adding structures of 7039606 via cif-deposit CGI script.	7039606.cif