Crystallography Open Database

Information card for entry 2300741

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Coordinates	2300741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 Ca3 K2 O12
Calculated formula	C3.999 Ca3 K2 O11.999
Title of publication	Coupling between cation and anion disorder in β-K2Ca3(CO3)4
Authors of publication	Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D.
Journal of publication	Journal of Applied Crystallography
Year of publication	2024
Journal volume	57
Journal issue	3
a	7.5371 ± 0.0002 Å
b	16.1777 ± 0.0005 Å
c	8.7793 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1070.49 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for significantly intense reflections	1.5135
Goodness-of-fit parameter for all reflections included in the refinement	1.2187
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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