Crystallography Open Database

Information card for entry 7720346

7720345 << 7720346 >> 7720347

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Coordinates	7720346.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	potassium calcium copper oxyphosphate
Formula	Ca0.87 Cu6.13 K2 O18 P4
Calculated formula	Ca0.876 Cu6.124 K2 O18 P4
Title of publication	Crystal structure and physical properties of shchurovskyite-related K2CaCu6O2(PO4)4
Authors of publication	Kiriukhina, Galina; Yakubovich, Olga Vsevolodovna; Shvanskaya, Larisa Victorovna; Vasiliev, Alexander
Journal of publication	Dalton Transactions
Year of publication	2026
a	8.3527 ± 0.0003 Å
b	5.6597 ± 0.0002 Å
c	16.8327 ± 0.0006 Å
α	90°
β	94.605 ± 0.004°
γ	90°
Cell volume	793.18 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.213
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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