Crystallography Open Database

Information card for entry 9017774

Preview

Coordinates	9017774.cif
External links	AMCSD

Structure parameters

Formula	Al F5 Mg
Calculated formula	Al F5 Mg
Title of publication	The thermal dehydration of magnesium aluminum pentafluoride dihydrate: crystal structures of MgAlF5(H2O)2 and MgAlF5
Authors of publication	Weil, M.; Werner, F.
Journal of publication	Monatshefte fur Chemie
Year of publication	2001
Journal volume	132
Pages of publication	769 - 777
a	7.268 Å
b	6.123 Å
c	3.543 Å
α	90°
β	90°
γ	90°
Cell volume	157.67 Å³
Number of distinct elements	3
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283960 (current)	2023-05-23	cif/9/ (saulius@tasmanijos-velnias) Estimating atom types and attached hydrogen counts for all range 9 COD entries. Atom types and hydrogen counts for about 170 entries were adjusted manually after running 'cif_guess_AMCSD_atom_types'. Commiting only those entries where declared and calculated summary formulae are matching exactly. To get the reduced formula, the Z value was estimated with 'cif_estimate_Z' after atom type adjustment. NB.: some files still do not contain the Z value, since the Z that was written into the files was estimated before the atom type correction was made, not after. The Z values will be recomputed once more after the atom types are checked in.	9017774.cif
282074	2023-03-27	cod/ (saulius@kukutis) Syncronising the AMCSD and the COD: depositing those AMCSD files that are genuinely new (i.e. do not have corresponding COD entries when compared using DOI, atomic coordinates, cell parameters and symmetry).	9017774.cif