Crystallography Open Database

Information card for entry 2312737

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Structure parameters

Formula	Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55
Calculated formula	Ca0.31 Mn0.14 Na5.005 O12 P3 Zn1.545
Title of publication	A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>].
Authors of publication	Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2025
Journal volume	81
Journal issue	1
a	12.9901 ± 0.0002 Å
b	16.2647 ± 0.0003 Å
c	5.2158 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1101.99 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.228
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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