Crystallography Open Database

Information card for entry 9017632

Preview

Coordinates	9017632.cif
External links	AMCSD

Structure parameters

Mineral name	Magbasite
Formula	Al0.1 Ba F6 Fe1.633 H2 K Mg6.267 O24 Si8
Calculated formula	Al0.1 Ba F6 Fe1.633 H2 K Mg6.267 O24 Si8
Title of publication	Crystal structure and topological affinities of magbasite, KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite
Authors of publication	Welch, M. D.; Mitchell, R. H.; Kampf, A. R.; Chakhmouradian; Smith, D.; Carter, M.
Journal of publication	Mineralogical Magazine
Year of publication	2014
Journal volume	78
Pages of publication	29 - 45
a	18.9506 Å
b	22.5045 Å
c	5.278 Å
α	90°
β	90°
γ	90°
Cell volume	2250.93 Å³
Number of distinct elements	9
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 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.	9017632.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).	9017632.cif