Crystallography Open Database

Information card for entry 1573901

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Coordinates	1573901.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	Celsian
Formula	Al2 Ba O8 Si2
Calculated formula	Al2 Ba O8 Si2
Title of publication	Crystal structure stability and phase transition of celsian, BaAl2Si2O8, up to 1100 °C / 22 GPa
Authors of publication	Gorelova, Liudmila; Britvin, Sergey; Krzhizhanovskaya, Maria; Vereshchagin, Oleg; Kasatkin, Anatoly; Krivovichev, Sergey
Journal of publication	Ceramics International
Year of publication	2024
Journal volume	50
Journal issue	24
Pages of publication	54770 - 54777
a	8.2455 ± 0.0007 Å
b	12.4669 ± 0.0008 Å
c	13.8257 ± 0.0012 Å
α	90°
β	113.533 ± 0.006°
γ	90°
Cell volume	1303.02 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Cell measurement pressure	9100000 kPa
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41106 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297725 (current)	2025-02-13	cif/ Adding structures of 1573901 via cif-deposit CGI script.	1573901.cif