Crystallography Open Database

Information card for entry 4342327

Preview

Coordinates	4342327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Ca3 Na3 Sb4
Calculated formula	Al Ca3 Na3 Sb4
SMILES	[Al]([Sb])([Sb])([Sb])[Sb].[Ca+2].[Ca+2].[Ca+2].[Na+].[Na+].[Na+]
Title of publication	Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.
Authors of publication	Wang, Yi; Stoyko, Stanislav; Bobev, Svilen
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1931 - 1939
a	10.0121 ± 0.0005 Å
b	10.0121 ± 0.0005 Å
c	7.6045 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	660.16 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
179526 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23.	4342327.cif
132800	2015-03-04	cif/ Updating files of 4342324, 4342325, 4342326, 4342327 Original log message: Adding full bibliography for 4342324--4342327.cif.	4342327.cif
131147	2015-02-05	cif/ Adding structures of 4342327 via cif-deposit CGI script.	4342327.cif