Crystallography Open Database

Information card for entry 2022935

2022934 << 2022935 >> 2022936

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Coordinates	2022935.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Calcium hexafluoridosilicate dihydrate
Formula	Ca F6 H4 O2 Si
Calculated formula	Ca F6 H4 O2 Si
Title of publication	Crystal structure of CaSiF6·2H2O(mP2) and reevaluation of the SiIV–F bond-valence parameter R 0
Authors of publication	Motaln, Klemen; Lozinšek, Matic
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	12
Pages of publication	1121 - 1126
a	5.96605 ± 0.00017 Å
b	5.13977 ± 0.00012 Å
c	9.9308 ± 0.0003 Å
α	90°
β	107.275 ± 0.003°
γ	90°
Cell volume	290.783 ± 0.015 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 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	0.025
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288944 (current)	2024-01-07	cif/ Updating files of 2022935 Original log message: Adding full bibliography for 2022935.cif.	2022935.cif
287248	2023-11-03	cif/ hkl/ Adding structures of 2022935 via cif-deposit CGI script.	2022935.cif