data_global
_chemical_name_mineral 'Fluorphosphohedyphane'
loop_
_publ_author_name
'Miyake M'
'Ishigaki K'
'Suzuki T'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 61 
_journal_year 1986
_journal_page_first 230
_journal_page_last 235
_publ_section_title
;
 Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting
 Note: Sample FAp
 Note: apatite group
;
_database_code_amcsd 0013569
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Pb2.76 Ca2.24) P3 O12 F'
_cell_length_a 9.759
_cell_length_b 9.759
_cell_length_c 7.291
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 601.351
_exptl_crystal_density_diffrn      5.332
_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
Pb1   0.33333   0.66667   0.00900   0.60000   0.03040
Ca1   0.33333   0.66667   0.00900   0.40000   0.03040
Pb2   0.25000   0.00000   0.25000   0.52000   0.02660
Ca2   0.25000   0.00000   0.25000   0.48000   0.02660
P   0.40200   0.37400   0.25000   1.00000   0.01013
O1   0.31300   0.47700   0.25000   1.00000   0.03293
O2   0.58300   0.48000   0.25000   1.00000   0.01773
O3   0.35100   0.27100   0.06600   1.00000   0.03166
F   0.00000   0.00000   0.25000   1.00000   0.04433