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 Mn.42
;
_database_code_amcsd 0001428
_chemical_formula_sum 'Ca4.791 Mn.211 P3 O12 F.93'
_cell_length_a 9.3596
_cell_length_b 9.3596
_cell_length_c 6.8603
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 520.461
_exptl_crystal_density_diffrn      3.230
_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   0.00155   0.91800   0.01049
Mn1   0.66667   0.33333   0.00155   0.08300   0.01049
Ca2  -0.00704   0.24157   0.25000   0.98500   0.00951
Mn2  -0.00704   0.24157   0.25000   0.01500   0.00951
P   0.36937   0.39843   0.25000   1.00000   0.00726
O1   0.48590   0.32730   0.25000   1.00000   0.01229
O2   0.46660   0.58820   0.25000   1.00000   0.01634
O3   0.25750   0.34140   0.07070   1.00000   0.01760
F   0.00000   0.00000   0.25000   0.93000   0.02368