Crystallography Open Database

Information card for entry 2312833

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Structure parameters

Chemical name	Magnesium nickel tetraboride
Formula	B8 Mg2 Ni2
Calculated formula	B8 Mg2 Ni2
Title of publication	New ternary boride MgNiB<sub>4</sub>: structural and hydriding properties.
Authors of publication	Pavlyuk, Nazar; Bondaruk, Alina; Zelinski, Anatoliy; Rozdzynska-Kielbik, Beata; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Volodymyr
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2025
Journal volume	81
Journal issue	6
a	5.8791 ± 0.0002 Å
b	11.2982 ± 0.0005 Å
c	3.2771 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	217.676 ± 0.014 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
299593 (current)	2025-05-09	cif/ hkl/ Adding structures of 2312833 via cif-deposit CGI script.	2312833.cif 2312833.hkl