Crystallography Open Database

Information card for entry 2022959

2022958 << 2022959 >> 2022960

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Structure parameters

Chemical name	Magnesium lithium boride (1.11/1.89/47.60)
Formula	B47.6 Li1.89 Mg1.11
Calculated formula	B47.61 Li1.913 Mg1.087
Title of publication	Synthesis, crystal structure and hydrogenation properties of Mg<sub><i>x</i></sub>Li<sub>3 - <i>x</i></sub>B<sub>48 - <i>y</i></sub> (<i>x</i> = 1.11, <i>y</i> = 0.40).
Authors of publication	Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 1
Pages of publication	10 - 13
a	10.1905 ± 0.0006 Å
b	10.1905 ± 0.0006 Å
c	14.4709 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1502.75 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
289681 (current)	2024-02-05	cif/ Updating files of 2022959 Original log message: Adding full bibliography for 2022959.cif.	2022959.cif 2022959.hkl
288206	2023-12-09	cif/ hkl/ Adding structures of 2022959 via cif-deposit CGI script.	2022959.cif 2022959.hkl