data_global
_chemical_name_mineral 'Pyromorphite'
loop_
_publ_author_name
'Miyake M'
'Ishigaki K'
'Suzuki T'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 61 
_journal_year 1986
_journal_page_first 230
_journal_page_last 235
_publ_section_title
;
 Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting
 Note: Sample ClAp
 Note: apatite group
;
_database_code_amcsd 0013570
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Pb3.96 Ca1.04) P3 O12 Cl'
_cell_length_a 9.990
_cell_length_b 9.990
_cell_length_c 7.276
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 628.860
_exptl_crystal_density_diffrn      6.245
_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
Pb1   0.33333   0.66667   0.01300   0.69000   0.03293
Ca1   0.33333   0.66667   0.01300   0.31000   0.03293
Pb2   0.25400   0.00300   0.25000   0.86000   0.02786
Ca2   0.25400   0.00300   0.25000   0.14000   0.02786
P   0.40300   0.36500   0.25000   1.00000   0.02026
O1   0.32200   0.48100   0.25000   1.00000   0.03673
O2   0.57700   0.48600   0.25000   1.00000   0.02153
O3   0.35300   0.26700   0.06900   1.00000   0.04686
Cl   0.00000   0.00000   0.06600   0.50000   0.04686