data_global
_chemical_name_mineral 'Apatite-(SrCl)'
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: ThSrClAP
;
_database_code_amcsd 0004847
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Sr4.94 Th.06) P3 O12 Cl'
_cell_length_a 9.8562
_cell_length_b 9.8562
_cell_length_c 7.2095
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 606.534
_exptl_crystal_density_diffrn      4.200
_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   0.00078   0.98500   0.01130
Th1   0.66667   0.33333   0.00078   0.01500   0.01130
Sr2   0.26043   0.01125   0.25000   0.99000   0.01080
Th2   0.26043   0.01125   0.25000   0.01000   0.01080
P   0.37108   0.40395   0.25000   1.00000   0.00770
O1   0.48110   0.33490   0.25000   1.00000   0.01350
O2   0.46620   0.58470   0.25000   1.00000   0.01740
O3   0.26650   0.35400   0.07680   1.00000   0.02080
Cl   0.00000   0.00000   0.00000   1.00000   0.02470
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 0.01270 0.01270 0.00850 0.00640 0.00000 0.00000
Th1 0.01270 0.01270 0.00850 0.00640 0.00000 0.00000
Sr2 0.01150 0.01180 0.00950 0.00600 0.00000 0.00000
Th2 0.01150 0.01180 0.00950 0.00600 0.00000 0.00000
P 0.00770 0.00930 0.00710 0.00500 0.00000 0.00000
O1 0.01520 0.01780 0.01210 0.01160 0.00000 0.00000
O2 0.01250 0.01010 0.02840 0.00470 0.00000 0.00000
O3 0.01850 0.03540 0.01410 0.01760 -0.00710 -0.01160
Cl 0.01990 0.01990 0.03440 0.01000 0.00000 0.00000