Crystallography Open Database

Information card for entry 2312594

Preview

Coordinates	2312594.cif
Original IUCr paper	HTML

Structure parameters

Formula	Ca5.79 K0.72 Na1.71 O19 Si6
Calculated formula	Ca5.786 K0.717 Na1.714 O19 Si6
Title of publication	K<sub>0.72</sub>Na<sub>1.71</sub>Ca<sub>5.79</sub>Si<sub>6</sub>O<sub>19</sub> - the first oligosilicate based on [Si<sub>6</sub>O<sub>19</sub>]-hexamers and its stability compared to cyclosilicates.
Authors of publication	Kahlenberg, Volker; Krüger, Hannes; Garber, Sonja; Krüger, Biljana; Libowitzky, Eugen; Kröll, Stefanie; Hofer, Thomas S.; Gallmetzer, Josef M.; Purtscher, Felix R. S.
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	5
Pages of publication	474 - 487
a	7.3659 ± 0.0002 Å
b	7.3659 ± 0.0002 Å
c	32.2318 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1748.78 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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

Version history

Revision	Date	Message	Files
296747 (current)	2024-12-07	cif/ Updating files of 2312594 Original log message: Adding full bibliography for 2312594.cif.	2312594.cif
294337	2024-09-03	cif/ Adding structures of 2312594 via cif-deposit CGI script.	2312594.cif