Crystallography Open Database

Information card for entry 1575606

Preview

Coordinates	1575606.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ba3Al2B12O24
Formula	Al2 B12 Ba3 O24
Calculated formula	Al2 B12 Ba3 O24
Title of publication	Ba<sub>3</sub>Al<sub>2</sub>B<sub>12</sub>O<sub>24</sub>: a beryllium-free member of the Sr<sub>2</sub>Be<sub>2</sub>B<sub>2</sub>O<sub>7</sub> family with a <sup>2</sup> <sub>∞</sub>[B<sub>12</sub>Al<sub>2</sub>O<sub>28</sub>] double-layered structure.
Authors of publication	Liu, Xiaorong; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	38
Pages of publication	17766 - 17771
a	7.0957 ± 0.001 Å
b	12.1687 ± 0.0017 Å
c	22.545 ± 0.003 Å
α	90°
β	91.046 ± 0.003°
γ	90°
Cell volume	1946.3 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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