Crystallography Open Database

Information card for entry 1561885

Preview

Coordinates	1561885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca3 K2 O10 Si3
Calculated formula	Ca3 K2 O10 Si3
Title of publication	On the ambient pressure polymorph of K2Ca3Si3O10—An unusual mixed-anion silicate and its structural and spectroscopic characterization
Authors of publication	Schmidmair, Daniela; Kahlenberg, Volker; Perfler, Lukas; Tribus, Martina; Hildebrandt, Johannes; Többens, Daniel M.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	228
Pages of publication	90 - 98
a	5.6699 ± 0.0006 Å
b	7.3754 ± 0.0012 Å
c	11.831 ± 0.0013 Å
α	86.199 ± 0.011°
β	80.625 ± 0.009°
γ	88.7 ± 0.011°
Cell volume	487.03 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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