data_global
_chemical_name_mineral 'Fluorapatite'
loop_
_publ_author_name
'Luo Y'
'Hughes J M'
'Rakovan J'
'Pan Y'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 345
_journal_page_last 351
_publ_section_title
;
 Site preference of U and Th in Cl, F, and Sr apatites
 Note: UFAP
;
_database_code_amcsd 0004837
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca4.958 U.042 P3 O12 F'
_cell_length_a 9.3709
_cell_length_b 9.3709
_cell_length_c 6.8849
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 523.589
_exptl_crystal_density_diffrn      3.251
_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   0.00103   0.99900   0.01060
Ca2   0.75983   0.00774   0.25000   0.98600   0.00950
U2   0.75983   0.00774   0.25000   0.01400   0.00950
P   0.60199   0.63110   0.25000   1.00000   0.00690
O1   0.67470   0.51610   0.25000   1.00000   0.01160
O2   0.41220   0.53290   0.25000   1.00000   0.01320
O3   0.65863   0.74315   0.07060   1.00000   0.01530
F   0.00000   0.00000   0.25000   1.00000   0.02200
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca1 0.01210 0.01210 0.00740 0.00600 0.00000 0.00000
Ca2 0.01130 0.00910 0.00870 0.00540 0.00000 0.00000
U2 0.01130 0.00910 0.00870 0.00540 0.00000 0.00000
P 0.00740 0.00650 0.00700 0.00370 0.00000 0.00000
O1 0.01440 0.01100 0.01300 0.00920 0.00000 0.00000
O2 0.00810 0.01030 0.01980 0.00340 0.00000 0.00000
O3 0.02500 0.01370 0.01050 0.01200 0.00770 0.00460
F 0.01250 0.01250 0.04090 0.00630 0.00000 0.00000