Crystallography Open Database

Information card for entry 2312686

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Structure parameters

Formula	Al Ba2 O5 Y
Calculated formula	Al Ba2 O5 Y
Title of publication	Perovskite-related structures of Ba<sub>2</sub>YAlO<sub>5</sub> and the β and α phases of Ba<sub>6</sub>Y<sub>2</sub>Al<sub>4</sub>O<sub>15</sub> containing AlO<sub>4</sub> tetrahedra.
Authors of publication	Simura, Rayko; Suzuki, Yamato; Yamane, Hisanori
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2023
Journal volume	79
Journal issue	Pt 11
Pages of publication	464 - 471
a	7.2333 ± 0.0007 Å
b	6.0254 ± 0.0005 Å
c	7.4294 ± 0.0007 Å
α	90°
β	117.249 ± 0.003°
γ	90°
Cell volume	287.87 ± 0.05 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.233
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
295819 (current)	2024-11-07	cif/ hkl/ Adding structures of 2312686, 2312687, 2312688 via cif-deposit CGI script.	2312686.cif 2312686.hkl