Crystallography Open Database

Information card for entry 9017644

Preview

Coordinates	9017644.cif
External links	AMCSD

Structure parameters

Mineral name	Fluoro-pargasite
Formula	Al1.86 Ca2 Cl0.03 F1.18 Fe0.37 H0.8 K0.13 Mg4.09 Na0.75 O22.8 Si6.6 Ti0.04 Zn0.01
Calculated formula	Al1.86 Ca2 Cl0.03 F1.18 Fe0.37 H0.8 K0.13 Mg4.09 Na0.75 O22.8 Si6.6 Ti0.04 Zn0.01
Title of publication	Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample FK1
Authors of publication	Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.
Journal of publication	Mineralogical Magazine
Year of publication	2014
Journal volume	78
Pages of publication	293 - 310
a	9.862 Å
b	17.998 Å
c	5.2942 Å
α	90°
β	105.17°
γ	90°
Cell volume	906.956 Å³
Number of distinct elements	13
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
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.	9017644.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).	9017644.cif