Crystallography Open Database

Information card for entry 4337286

Preview

Coordinates	4337286.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium Sodium Germanide
Formula	Ge17 Li18 Na2
Calculated formula	Ge17 Li18 Na2
SMILES	[Ge].[Ge]12[Ge]3[Ge]1[Ge]23.[Ge]12[Ge]3[Ge]4[Ge]5[Ge]6[Ge]2[Ge]6[Ge]2[Ge]([Ge]2[Ge]13)[Ge]45.[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
Title of publication	Li18Na2Ge17-A Compound Demonstrating Cation Effects on Cluster Shapes and Crystal Packing in Ternary Zintl Phases.
Authors of publication	Scherf, Lavinia M.; Zeilinger, Michael; Fässler, Thomas F
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	4
Pages of publication	2096 - 2101
a	17.0905 ± 0.0004 Å
b	17.0905 ± 0.0004 Å
c	8.0783 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2043.43 ± 0.08 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	157
Hermann-Mauguin space group symbol	P 3 1 m
Hall space group symbol	P 3 -2
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179475 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72.	4337286.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4337286.cif
106260	2014-03-15	cif/ Adding structures of 4337286 via cif-deposit CGI script.	4337286.cif