Crystallography Open Database

Information card for entry 2105810

Preview

Coordinates	2105810.cif
Original IUCr paper	HTML

Structure parameters

Formula	Li Zn3.175
Calculated formula	Li0.958 Zn3.042
Title of publication	LiZn~4{-~<i>x</i>} (<i>x</i> = 0.825) as a (3+1)-dimensional modulated derivative of hexagonal close packing
Authors of publication	Pavlyuk, Volodymyr; Chumak, Ihor; Akselrud, Lev; Lidin, Sven; Ehrenberg, Helmut
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	212 - 217
a	2.7679 Å
b	4.7942 Å
c	4.3864 Å
α	90°
β	90°
γ	90°
Cell volume	58.207 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	2
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for significantly intense reflections	3.96
Goodness-of-fit parameter for all reflections included in the refinement	3.7
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 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.	2105810.cif
108735	2014-04-03	cif/ hkl/ Adding structures of 2105810 via cif-deposit CGI script.	2105810.cif