Crystallography Open Database

Information card for entry 8104533

Preview

Coordinates	8104533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba D0.1 Ge
Calculated formula	Ba D0.095 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	5.0566 ± 0.0004 Å
b	12.1796 ± 0.0015 Å
c	4.2985 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	264.73 ± 0.05 Å³
Cell temperature	502 ± 2 K
Ambient diffraction temperature	502 ± 2 K
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	0.049
Goodness-of-fit parameter for all reflections	2.04
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

Version history

Revision	Date	Message	Files
211344 (current)	2018-10-07	cif/ Updating files of 8104533 Original log message: added journal issue, volumne and pages	8104533.cif
211175	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8104533.cif
207409	2018-04-20	cif/ Adding structures of 8104533 via cif-deposit CGI script.	8104533.cif