data_global
_chemical_name_mineral 'Johnbaumite'
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: As80
;
_database_code_amcsd 0004929
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca5 (As2.405 P.595) O13 H'
_cell_length_a 9.6758
_cell_length_b 9.6758
_cell_length_c 6.9732
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 565.375
_exptl_crystal_density_diffrn      3.571
_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   0.00330   1.00000   0.00969
Ca2   0.24625   0.99780   0.25000   1.00000   0.00969
As   0.39681   0.36909   0.25000   0.80150   0.00969
P   0.39681   0.36909   0.25000   0.19850   0.00969
O1   0.31603   0.48819   0.25000   1.00000   0.00969
O2   0.59366   0.46606   0.25000   1.00000   0.00969
O3   0.33941   0.25085   0.05944   1.00000   0.00969
O-H4   0.00000   0.00000   0.69710   0.50000   0.00969