data_global
_chemical_name_mineral 'Apatite-(CaOH)'
loop_
_publ_author_name
'Hughes J M'
'Cameron M'
'Crowley K D'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 870
_journal_page_last 876
_publ_section_title
;
 Structural variations in natural F, OH, and Cl apatites
;
_database_code_amcsd 0001260
_chemical_compound_source 'Holly Springs, Georgia, USA'
_chemical_formula_sum 'Ca5 P3 O13 H'
_cell_length_a 9.4166
_cell_length_b 9.4166
_cell_length_c 6.8745
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 527.910
_exptl_crystal_density_diffrn      3.160
_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   0.00144   1.00000 ?
Ca2  -0.00657   0.24706   0.25000   1.00000 ?
P   0.36860   0.39866   0.25000   1.00000 ?
O1   0.48500   0.32890   0.25000   1.00000 ?
O2   0.46490   0.58710   0.25000   1.00000 ?
O3   0.25800   0.34350   0.07030   1.00000 ?
O(H)   0.00000   0.00000   0.19790   0.50000 ?
H   0.00000   0.00000   0.04000   0.50000   0.04179
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 0.01375 0.01375 0.00790 0.00687 0.00000 0.00000
Ca2 0.01038 0.01189 0.00998 0.00526 0.00000 0.00000
P 0.00751 0.00842 0.00814 0.00428 0.00000 0.00000
O1 0.01213 0.01482 0.01413 0.00910 0.00000 0.00000
O2 0.01179 0.01044 0.02514 0.00539 0.00000 0.00000
O3 0.01685 0.03234 0.01676 0.01701 -0.00710 -0.01164
O(H) 0.01011 0.01011 0.02873 0.00505 0.00000 0.00000