Crystallography Open Database

Information card for entry 1000149

Preview

Coordinates	1000149.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium calcium hexafluoroaluminate - α
Formula	Al Ca F6 Na
Calculated formula	Al Ca F6 Na
SMILES	[F-][Al](F)(F)(F)([F-])[F-].[Ca+2].[Na+]
Title of publication	Structure of α-NaCaAlF~6~ determined ab initio from conventional powder diffraction data
Authors of publication	Le Bail, A.; Hemon-Ribaud, A.; Courbion, G.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1998
Journal volume	35
Journal issue	3
Pages of publication	265 - 272
a	8.7423 ± 0.0003 Å
b	5.1927 ± 0.0002 Å
c	20.35139 ± 0.0009 Å
α	90°
β	91.499 ± 0.002°
γ	90°
Cell volume	923.6 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.052
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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