data_global
_chemical_name_mineral 'Fluorphosphohedyphane'
loop_
_publ_author_name
'Kampf A R'
'Housley R M'
_journal_name_full 'American Mineralogist'
_journal_volume 96 
_journal_year 2011
_journal_page_first 423
_journal_page_last 429
_publ_section_title
;
 Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral
 with essential Pb and F
;
_database_code_amcsd 0018322
_chemical_compound_source 'Blue Bell claims, near Baker, San Bernardino County, California, USA'
_chemical_formula_sum 'Ca2.354 Pb2.646 P3 O12 F'
_cell_length_a 9.6402
_cell_length_b 9.6402
_cell_length_c 7.0121
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 564.353
_exptl_crystal_density_diffrn      5.570
_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   0.33333   0.66667   0.00460   1.00000   0.00850
Pb2   0.23960   0.00873   0.25000   0.88200   0.01180
Ca2   0.23960   0.00873   0.25000   0.11800   0.01180
P   0.41830   0.38800   0.25000   1.00000   0.00990
O1   0.35920   0.50780   0.25000   1.00000   0.01600
O2   0.60470   0.47310   0.25000   1.00000   0.01600
O3   0.36100   0.27800   0.07330   1.00000   0.01880
F   0.00000   0.00000   0.50000   1.00000   0.05700
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 0.00930 0.00930 0.00680 0.00470 0.00000 0.00000
Pb2 0.00990 0.00940 0.01490 0.00380 0.00000 0.00000
Ca2 0.00990 0.00940 0.01490 0.00380 0.00000 0.00000
P 0.01010 0.00760 0.01200 0.00430 0.00000 0.00000
O1 0.02000 0.01400 0.01600 0.01100 0.00000 0.00000
O2 0.01100 0.01600 0.02400 0.00700 0.00000 0.00000
O3 0.02900 0.01600 0.01700 0.01400 -0.00700 -0.00500
F 0.04800 0.04800 0.07600 0.02400 0.00000 0.00000