Crystallography Open Database

Information card for entry 4342324

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Coordinates	4342324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al3 Ca2 Na11 Sb8
Calculated formula	Al3 Ca2 Na11 Sb8
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	18.969 ± 0.0015 Å
b	8.8533 ± 0.0007 Å
c	7.9304 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1331.82 ± 0.19 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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