data_global
_chemical_name_mineral 'Hydroxylapatite'
loop_
_publ_author_name
'Lee Y J'
'Stephens P W'
'Tang Y'
'Li W'
'Phillips B L'
'Parise J B'
'Reeder R J'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 666
_journal_page_last 675
_publ_section_title
;
 Arsenate substitution in hydroxylapatite: Structural characterization of the
 Ca5(PxAs1-xO4)3OH solid solution
 Sample: As11
;
_database_code_amcsd 0004925
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca5 (As.33 P2.67) O13 H'
_cell_length_a 9.4655
_cell_length_b 9.4655
_cell_length_c 6.9068
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 535.913
_exptl_crystal_density_diffrn      3.203
_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   0.00130   1.00000   0.00942
Ca2   0.24660   0.99367   0.25000   1.00000   0.00942
As   0.39655   0.36850   0.25000   0.11010   0.00942
P   0.39655   0.36850   0.25000   0.88990   0.00942
O1   0.32514   0.48279   0.25000   1.00000   0.00942
O2   0.58587   0.46366   0.25000   1.00000   0.00942
O3   0.34162   0.25584   0.06850   1.00000   0.00942
O-H4   0.00000   0.00000   0.69390   0.50000   0.00942