Crystallography Open Database

Information card for entry 4341594

Preview

Coordinates	4341594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca30 Li3.44 Zn59.56
Calculated formula	Ca30 Li3.444 Zn59.556
Title of publication	Lithiation-Induced Zinc Clustering of Zn3, Zn12, and Zn18 Units in Zintl-Like Caσim 30Li3+xZn60-x (x = 0.44-1.38).
Authors of publication	Lin, Qisheng
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	3
Pages of publication	922 - 929
a	15.4651 ± 0.0009 Å
b	15.4651 ± 0.0009 Å
c	9.3898 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1944.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341594.cif
130565	2015-02-04	cif/ Updating files of 4341594, 4341595 Original log message: Adding full bibliography for 4341594--4341595.cif.	4341594.cif
127366	2014-11-16	cif/ Adding structures of 4341594, 4341595 via cif-deposit CGI script.	4341594.cif