data_global
_chemical_name_mineral 'Apatite-(CaF)'
loop_
_publ_author_name
'Hughes J M'
'Cameron M'
'Crowley K D'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1857
_journal_page_last 1862
_publ_section_title
;
 Ordering of divalent cations in the apatite structure: Crystal structure
 refinements of natural Mn- and Sr-bearing apatite
 sample Sr.29
;
_database_code_amcsd 0001426
_chemical_formula_sum '(Ca4.852 Sr.148) P3 O12 F.89'
_cell_length_a 9.3786
_cell_length_b 9.3786
_cell_length_c 6.8922
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 525.006
_exptl_crystal_density_diffrn      3.221
_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   0.00092   0.99800   0.00927
Sr1   0.66667   0.33333   0.00092   0.00200   0.00927
Ca2  -0.00788   0.24114   0.25000   0.95200   0.00849
Sr2  -0.00788   0.24114   0.25000   0.04800   0.00849
P   0.36899   0.39827   0.25000   1.00000   0.00646
O1   0.48520   0.32720   0.25000   1.00000   0.01140
O2   0.46700   0.58790   0.25000   1.00000   0.01241
O3   0.25737   0.34180   0.07060   1.00000   0.01469
F   0.00000   0.00000   0.25000   0.89000   0.02444