Crystallography Open Database

Information card for entry 2312409

Preview

Coordinates	2312409.cif
Original IUCr paper	HTML

Structure parameters

Common name	Sodium aluminoboracite
Chemical name	Sodium aluminoboracite
Formula	Al3 B4 Cl0.92 Na3.92 O12
Calculated formula	Al3 B4 Cl0.92 Na3.918 O12
Title of publication	Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).
Authors of publication	Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 2
Pages of publication	169 - 173
a	13.5904 ± 0.0001 Å
b	13.5904 ± 0.0001 Å
c	13.5904 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2510.13 ± 0.03 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	219
Hermann-Mauguin space group symbol	F -4 3 c
Hall space group symbol	F -4a 2 3
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290317 (current)	2024-03-05	cif/ Adding structures of 2312407, 2312408, 2312409, 2312410 via cif-deposit CGI script.	2312409.cif