Crystallography Open Database

Information card for entry 2105050

Preview

Coordinates	2105050.cif
Original IUCr paper	HTML

Structure parameters

Formula	Li0.62 Zn0.87
Calculated formula	Li0.623333 Zn0.88
Title of publication	Polymorphism of Li~2~Zn~3~
Authors of publication	Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	1
Pages of publication	34 - 39
a	4.3528 ± 0.0014 Å
b	4.3528 ± 0.0014 Å
c	8.003 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	131.32 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	2
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.266
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
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105050.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2105050.cif
38154	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2105049, 2105050 via cif-deposit CGI script.	2105050.cif