data_global
_chemical_name_mineral 'Apatite-(CaF)'
loop_
_publ_author_name
'Fleet M E'
'Pan Y'
_journal_name_full 'American Mineralogist'
_journal_volume 80 
_journal_year 1995
_journal_page_first 329
_journal_page_last 335
_publ_section_title
;
 Site preference of rare earth elements in fluorapatite
 Sample: Nd-FAp
;
_database_code_amcsd 0001728
_chemical_formula_sum 'Ca4.331 Na.257 Nd.409 (P2.841 Si.159) O12 F'
_cell_length_a 9.3979
_cell_length_b 9.3979
_cell_length_c 6.8997
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 527.743
_exptl_crystal_density_diffrn      3.410
_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   0.00000   0.90100   0.01127
Na1   0.66667   0.33333   0.00000   0.06100   0.01127
Nd1   0.66667   0.33333   0.00000   0.03800   0.01127
Ca2   0.99024   0.24085   0.25000   0.84300   0.00950
Na2   0.99024   0.24085   0.25000   0.04500   0.00950
Nd2   0.99024   0.24085   0.25000   0.11100   0.00950
P   0.36870   0.39750   0.25000   0.94700   0.00659
Si   0.36870   0.39750   0.25000   0.05300   0.00659
O1   0.48300   0.32530   0.25000   1.00000   0.01216
O2   0.46610   0.58590   0.25000   1.00000   0.01558
O3   0.25610   0.34060   0.07140   1.00000   0.01773
F   0.00000   0.00000   0.25000   1.00000   0.03724