Crystallography Open Database

Information card for entry 3000198

Preview

Coordinates	3000198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba D0.13 Ge
Calculated formula	Ba D0.131 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	5.0309 ± 0.0003 Å
b	12.2147 ± 0.0016 Å
c	4.2738 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	262.63 ± 0.05 Å³
Cell temperature	325 ± 6 K
Ambient diffraction temperature	325 ± 6 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	0.033
Goodness-of-fit parameter for all reflections	2.68
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
211345 (current)	2018-10-07	cif/ Updating files of 3000198 Original log message: added issue, volume, year and pages	3000198.cif
207411	2018-04-20	cif/ Updating files of 3000198 Original log message: Releasing structure 3000198 into public domain as published material.	3000198.cif
207410	2018-04-20	cif/ Adding structures of 3000198 via cif-deposit CGI script.	3000198.cif