data_global
_chemical_name_mineral 'Carbonate-fluorapatite'
loop_
_publ_author_name
'Perdikatsis B'
_journal_name_full 'Materials Science Forum'
_journal_volume 79 
_journal_year 1991
_journal_page_first 809
_journal_page_last 814
_publ_section_title
;
 X-ray powder diffraction study of francolite by the Rietveld method
 Sample: T = 1200 C
 Note: Reported structure does not reproduce reported formula or bondlengths
;
_database_code_amcsd 0014388
_chemical_compound_source 'Epirus, Greece'
_chemical_formula_sum 'Ca2.176 P1.488 O8.973 F.169'
_cell_length_a 9.3708
_cell_length_b 9.3708
_cell_length_c 6.8880
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 523.814
_exptl_crystal_density_diffrn      1.776
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca1   0.33333   0.66667   0.00050   0.33800   0.01512
Ca2   0.24100   0.99150   0.25000   0.50000   0.00566
P   0.39830   0.36860   0.25000   0.49600   0.00375
O1   0.32230   0.48280   0.25000   0.49200   0.00532
O2   0.58980   0.46380   0.25000   0.49900   0.01779
O3   0.34120   0.25580   0.06950   1.00000   0.01360
F   0.00000   0.00000   0.25000   0.16900   0.05181