Crystallography Open Database

Information card for entry 2108540

Preview

Coordinates	2108540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al18.241 Ca11.96 Fe61.4 Mg10.68 O144 Si1.72
Calculated formula	Al18.24 Ca11.96 Fe61.388 Mg10.676 O144 Si1.72
Title of publication	Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone
Authors of publication	Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue
Journal of publication	Acta Crystallographica Section B
Year of publication	2019
Journal volume	75
Journal issue	6
a	10.3277 ± 0.0002 Å
b	27.0134 ± 0.0004 Å
c	10.4344 ± 0.0002 Å
α	90°
β	109.668 ± 0.002°
γ	90°
Cell volume	2741.22 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	295 ± 3 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for significantly intense reflections	1.82
Goodness-of-fit parameter for all reflections included in the refinement	1.58
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.72931 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231194 (current)	2019-11-22	cif/ hkl/ Adding structures of 2108539, 2108540 via cif-deposit CGI script.	2108540.cif