data_global
_chemical_name_mineral 'Hydroxylapatite'
loop_
_publ_author_name
'Wilson R M'
'Elliot J C'
'Dowker S E P'
_journal_name_full 'American Mineralogist'
_journal_volume 84 
_journal_year 1999
_journal_page_first 1406
_journal_page_last 1414
_publ_section_title
;
 Rietveld refinement of the crystallographic structure of human dental
 enamel apatites
 Sample: RHB - enamel
;
_database_code_amcsd 0002295
_chemical_formula_sum 'Ca4.73 Na.1 Mg.02 P2.85 O12.36 H1.1'
_cell_length_a 9.4616
_cell_length_b 9.4616
_cell_length_c 6.8819
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 533.541
_exptl_crystal_density_diffrn      2.985
_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
Ca1   0.66667   0.33333   0.00150   0.97000
Na1   0.66667   0.33333   0.00150   0.02000
Mg1   0.66667   0.33333   0.00150   0.01000
Ca2   0.24760   0.99140   0.25000   0.93000
Na2   0.24760   0.99140   0.25000   0.02000
P   0.39990   0.36930   0.25000   0.95000
O1   0.33010   0.48470   0.25000   0.94000
O2   0.57960   0.45900   0.25000   0.96000
O3   0.34360   0.25920   0.07060   0.93000
O-h   0.00000   0.00000   0.17710   0.54000
H   0.00000   0.00000   0.06080   0.55000