Crystallography Open Database

Information card for entry 9017040

Preview

Coordinates	9017040.cif
External links	AMCSD

Structure parameters

Mineral name	Fluorapatite
Formula	Ca5 Cl0.332 F0.773 O12 P3
Calculated formula	Ca5 Cl0.332 F0.773 O12 P3
Title of publication	Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal structure refinements of synthetic F-Cl apatite. Note: Sample HNF5CL5
Authors of publication	Hughes, J. M.; Nekvasil, H.; Ustunisik, G.; Lindsley, D. H.; Coraor, A. E.; Vaughn, J.; Phillips, B. L.; McCubbin, F. M.; Woerner, W. R.
Journal of publication	American Mineralogist
Year of publication	2014
Journal volume	99
Pages of publication	369 - 376
a	9.5104 Å
b	9.5104 Å
c	6.8311 Å
α	90°
β	90°
γ	120°
Cell volume	535.08 Å³
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
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.	9017040.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).	9017040.cif