Crystallography Open Database

Information card for entry 2202038

2202037 << 2202038 >> 2202039

Preview

Coordinates	2202038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Ba Ca F7
Calculated formula	Al Ba Ca F7
SMILES	[Ba+2].[Ca+2].[Al](F)(F)(F)([F-])([F-])[F-].[F-]
Title of publication	α-BaCaAlF~7~
Authors of publication	Werner, Franz; Weil, Matthias
Journal of publication	Acta Crystallographica, Section E
Year of publication	2003
Journal volume	59
Pages of publication	i17 - i19
a	5.3664 ± 0.0005 Å
b	5.3846 ± 0.0006 Å
c	18.8262 ± 0.0019 Å
α	90°
β	92.319 ± 0.002°
γ	90°
Cell volume	543.55 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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