Crystallography Open Database

Information card for entry 8104541

Preview

Coordinates	8104541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba D0.19 Sn
Calculated formula	Ba D0.188 Sn
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	5.2272 ± 0.0006 Å
b	12.936 ± 0.0015 Å
c	4.6397 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	313.73 ± 0.07 Å³
Cell temperature	478 K
Ambient diffraction temperature	478 K
Cell measurement pressure	5200 kPa
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor R(I) for significantly intense reflections	11.3652
Goodness-of-fit parameter for all reflections	2.6858
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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