data_global
_chemical_name_mineral 'Apatite-(SrOH)'
loop_
_publ_author_name
'Sudarsanan K'
'Young R A'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 28 
_journal_year 1972
_journal_page_first 3668
_journal_page_last 3670
_publ_section_title
;
 Structure of strontium hydroxide phosphate, Sr5(PO4)3OH
;
_database_code_amcsd 0009467
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Sr4.894 P3 O12.886 H.886'
_cell_length_a 9.745
_cell_length_b 9.745
_cell_length_c 7.265
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 597.489
_exptl_crystal_density_diffrn      4.051
_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
Sr1   0.33333   0.66667   0.00010   0.97360
Sr2   0.24420   0.98560   0.25000   0.98240
P   0.40020   0.36790   0.25000   1.00000
O1   0.33290   0.48120   0.25000   1.00000
O2   0.58340   0.46280   0.25000   1.00000
O3   0.34560   0.26110   0.07860   1.00000
O-H   0.00000   0.00000   0.18560   0.44300
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
Sr1 0.01082 0.01082 0.00668 0.00541 0.00000 0.00000
Sr2 0.00830 0.00938 0.00909 0.00397 0.00000 0.00000
P 0.00722 0.00686 0.00695 0.00397 0.00000 0.00000
O1 0.01263 0.01263 0.01444 0.01010 0.00000 0.00000
O2 0.00758 0.01191 0.02166 0.00397 0.00000 0.00000
O3 0.03103 0.01588 0.01096 0.01552 -0.00963 -0.00621
O-H 0.00649 0.00649 0.02540 0.00325 0.00000 0.00000