data_global
_chemical_name_mineral 'Apatite-(CaF)'
loop_
_publ_author_name
'Fleet M E'
'Pan Y'
_journal_name_full 'American Mineralogist'
_journal_volume 82 
_journal_year 1997
_journal_page_first 870
_journal_page_last 877
_publ_section_title
;
 Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
 substituted crystals
 Sample: La,Gd-FAp
;
_database_code_amcsd 0001938
_chemical_formula_sum 'Ca5 P3 O12 F'
_cell_length_a 9.3940
_cell_length_b 9.3940
_cell_length_c 6.8967
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 527.076
_exptl_crystal_density_diffrn      3.178
_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_U_iso_or_equiv
Ca1   0.66667   0.33333   0.00040   0.01026
Ca2   0.99093   0.24106   0.25000   0.00890
P   0.36875   0.39774   0.25000   0.00602
O1   0.48380   0.32560   0.25000   0.01178
O2   0.46670   0.58690   0.25000   0.01406
O3   0.25610   0.34050   0.07150   0.01659
F   0.00000   0.00000   0.25000   0.03116