data_global
_chemical_name_mineral 'Apatite-(SrF)'
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: ThSrFAP
;
_database_code_amcsd 0004846
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Sr4.965 Th.035) P3 O12 F'
_cell_length_a 9.7038
_cell_length_b 9.7038
_cell_length_c 7.2723
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 593.043
_exptl_crystal_density_diffrn      4.184
_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
Sr1   0.66667   0.33333  -0.00033   0.99300   0.00940
Th1   0.66667   0.33333  -0.00033   0.00700   0.00940
Sr2   0.76004   0.01439   0.25000   0.99300   0.00840
Th2   0.76004   0.01438   0.25000   0.00700   0.00840
P   0.60041   0.63115   0.25000   1.00000   0.00710
O1   0.66980   0.51890   0.25000   1.00000   0.01200
O2   0.41770   0.53600   0.25000   1.00000   0.01290
O3   0.65620   0.73890   0.07880   1.00000   0.01450
F   0.00000   0.00000   0.25000   1.00000   0.02670
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
Sr1 0.01100 0.01100 0.00600 0.00550 0.00000 0.00000
Th1 0.01100 0.01100 0.00600 0.00550 0.00000 0.00000
Sr2 0.00920 0.00790 0.00830 0.00450 0.00000 0.00000
Th2 0.00920 0.00790 0.00830 0.00450 0.00000 0.00000
P 0.00830 0.00670 0.00700 0.00430 0.00000 0.00000
O1 0.01580 0.01080 0.01250 0.00900 0.00000 0.00000
O2 0.00890 0.01230 0.01550 0.00370 0.00000 0.00000
O3 0.02210 0.01310 0.00960 0.00980 0.00590 0.00330
F 0.01290 0.01290 0.05460 0.00650 0.00000 0.00000