Crystallography Open Database

Information card for entry 4342325

Preview

Coordinates	4342325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca Ga Na4 Sb3
Calculated formula	Ca Ga Na4 Sb3
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	9.1513 ± 0.0009 Å
b	8.9852 ± 0.0009 Å
c	12.2305 ± 0.0012 Å
α	90°
β	97.84 ± 0.001°
γ	90°
Cell volume	996.27 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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.	4342325.cif
132800	2015-03-04	cif/ Updating files of 4342324, 4342325, 4342326, 4342327 Original log message: Adding full bibliography for 4342324--4342327.cif.	4342325.cif
131146	2015-02-05	cif/ Adding structures of 4342324, 4342325, 4342326 via cif-deposit CGI script.	4342325.cif