Crystallography Open Database

Information card for entry 7024661

Preview

Coordinates	7024661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba8 Ge42.1 Ni3.5
Calculated formula	Ba8 Ge41.98 Ni3.498
Title of publication	Atomic ordering and thermoelectric properties of the n-type clathrate Ba8Ni3.5Ge42.1square0.4.
Authors of publication	Nguyen, L. T. K.; Aydemir, U.; Baitinger, M.; Bauer, E.; Borrmann, H.; Burkhardt, U.; Custers, J.; Haghighirad, A.; Höfler, R; Luther, K. D.; Ritter, F.; Assmus, W.; Grin, Yu; Paschen, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	4
Pages of publication	1071 - 1077
a	10.6798 ± 0.0002 Å
b	10.6798 ± 0.0002 Å
c	10.6798 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1218.12 ± 0.04 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for all reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0392
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56087 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024661.cif
92616	2014-01-12	cif/ Adding structures of 7024661 via cif-deposit CGI script.	7024661.cif