Crystallography Open Database

Information card for entry 8104542

Preview

Coordinates	8104542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba D0.49 Ge
Calculated formula	Ba D0.4885 Ge
Title of publication	Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction
Authors of publication	Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger
Journal of publication	Zeitschrift für Kristallographie - Crystalline Materials
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	399
a	13.1951 ± 0.0015 Å
b	4.2145 ± 0.0002 Å
c	9.9155 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	551.41 ± 0.08 Å³
Cell temperature	502 ± 2 K
Ambient diffraction temperature	502 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor R(I) for significantly intense reflections	0.058
Goodness-of-fit parameter for all reflections	2.48
Method of determination	powder diffraction
Diffraction radiation wavelength	1.86819 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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