data_global
_chemical_name_mineral 'Apatite-(CaF)'
loop_
_publ_author_name
'Hughes J M'
'Cameron M'
'Mariano A N'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1165
_journal_page_last 1173
_publ_section_title
;
 Rare-earth-element ordering and structural variations in natural
 rare-earth-bearing apatites
 sample from the Oka carbonatite
;
_database_code_amcsd 0001379
_chemical_formula_sum 'Ca4.825 Na.01 Ce.165 (P2.841 Si.159) O12.26 F.74 H.26'
_cell_length_a 9.3995
_cell_length_b 9.3995
_cell_length_c 6.8941
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 527.494
_exptl_crystal_density_diffrn      3.272
_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   0.66667   0.33333   0.00110   0.98000   0.01131
Na1   0.66667   0.33333   0.00110   0.00500   0.01131
Ce1   0.66667   0.33333   0.00110   0.01500   0.01131
Ca2   0.99212   0.24276   0.25000   0.95500   0.01066
Ce2   0.99212   0.24276   0.25000   0.04500   0.01066
P   0.36875   0.39813   0.25000   0.94700   0.00722
Si   0.36875   0.39813   0.25000   0.05300   0.00722
O1   0.48490   0.32690   0.25000   1.00000   0.01216
O2   0.46590   0.58730   0.25000   1.00000   0.01368
O3   0.25730   0.34210   0.07050   1.00000   0.01672
F   0.00000   0.00000   0.25000   0.74000   0.03420
O-H   0.00000   0.00000   0.30200   0.13000   0.01646