Crystallography Open Database

Information card for entry 2312948

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Coordinates	2312948.cif
Original IUCr paper	HTML

Structure parameters

Formula	Al1.57 Ba Ga0.43 O4
Calculated formula	Al1.572 Ba Ga0.428 O3.9999
Title of publication	When the crucible contributes: serendipitous formation, flux reactivity, and crystal and electronic structures of two aluminium-bearing mixed-metal oxides, Ba<sub>2.1</sub>Pb<sub>0.9</sub>Al<sub>8.8</sub>In<sub>2.2</sub>O<sub>20</sub> and BaAl<sub>1.6</sub>Ga<sub>0.4</sub>O<sub>4</sub>.
Authors of publication	Watts, Spencer R.; Ante, David A.; Baranets, Sviatoslav
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2026
Journal volume	82
Journal issue	9
Pages of publication	494 - 505
a	9.0981 ± 0.0003 Å
b	9.0981 ± 0.0003 Å
c	8.7909 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	630.18 ± 0.04 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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