Crystallography Open Database

Information card for entry 7713082

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Coordinates	7713082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H98 Al2 N8 O4
Calculated formula	C87 H98 Al2 N8 O4
Title of publication	Lithium metal atoms fill vacancies in the germanium network of a type-I clathrate: Synthesis and structural characterization of Ba8Li5Ge41
Authors of publication	Ghosh, Kowsik; Ovchinnikov, Alexander; Baitinger, Michael; Krnel, Mitja; Burkhardt, Ulrich; Grin, Yuri; Bobev, Svilen
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.4063 ± 0.0012 Å
b	13.745 ± 0.0012 Å
c	14.0446 ± 0.0013 Å
α	110.884 ± 0.003°
β	110.057 ± 0.003°
γ	104.529 ± 0.004°
Cell volume	1902.5 ± 0.3 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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