Crystallography Open Database

Information card for entry 4308071

Preview

Coordinates	4308071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Ca2 Sn6
Calculated formula	Ba2 Ca2 Sn6
Title of publication	M2Ba2Sn6 (M =Yb, Ca): Metallic Zintl Phases with a Novel Tin Chain Substructure
Authors of publication	Ming-Hui Ge; John D. Corbett
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4138 - 4144
a	15.912 ± 0.003 Å
b	9.4974 ± 0.0019 Å
c	17.184 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2596.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308071.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308071.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308071.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308071.cif