Crystallography Open Database

Information card for entry 2020909

2020908 << 2020909 >> 2020910

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Structure parameters

Chemical name	Lithium boron tricarbide
Formula	C3 B Li0.96
Calculated formula	C3 B Li0.98
Title of publication	LiBC~3~: a new borocarbide based on graphene and heterographene networks
Authors of publication	Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	11
Pages of publication	984 - 989
a	2.5408 ± 0.0003 Å
b	2.5408 ± 0.0003 Å
c	7.5989 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	42.484 ± 0.009 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	187
Hermann-Mauguin space group symbol	P -6 m 2
Hall space group symbol	P -6 2
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.231
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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