data_global
_chemical_name_mineral 'Hydroxylapatite'
loop_
_publ_author_name
'Fleet M E'
'Liu X'
'King P L'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 1422
_journal_page_last 1432
_publ_section_title
;
 Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study
 of crystals synthesized at 2-4 GPa
 Sample: xt372
;
_database_code_amcsd 0003640
_chemical_formula_sum 'Ca5 P2.928 O13.012 H1.44'
_cell_length_a 9.4234
_cell_length_b 9.4234
_cell_length_c 6.8801
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 529.104
_exptl_crystal_density_diffrn      3.143
_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   0.00170   1.00000   0.01480
Ca2   0.99304   0.24700   0.25000   1.00000   0.01370
P   0.36880   0.39880   0.25000   0.97600   0.01010
O1   0.48450   0.32890   0.25000   1.00000   0.01500
O2   0.46490   0.58660   0.25000   1.00000   0.02000
O3   0.25800   0.34320   0.07140   0.98800   0.02400
O4   0.00000   0.00000   0.19500   0.50000   0.02300
H   0.00000   0.00000   0.05300   0.72000   0.02300
OB3   0.36000   0.43000   0.47000   0.01400   0.02500