Crystallography Open Database

Information card for entry 4321105

Preview

Coordinates	4321105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6 Li2.72 Mg5.28 Si12
Calculated formula	Ba6 Li2.72 Mg5.28 Si12
Title of publication	Topological Relationships and Building Blocks in Zintl Phases of the Composition Ban+l(Mg,Li)2nSi2(n+l)
Authors of publication	Steffen Wengert; Reinhard Nesper
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2861 - 2865
a	12.1197 ± 0.0011 Å
b	4.5978 ± 0.0004 Å
c	11.291 ± 0.0009 Å
α	90°
β	91.772 ± 0.015°
γ	90°
Cell volume	628.88 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
179314 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/11.	4321105.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321105.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321105.cif
18452	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321105 via cif-deposit CGI script.	4321105.cif