data_global
_chemical_name_mineral 'Pyromorphite'
loop_
_publ_author_name
'Barinova A V'
'Bonin M'
'Pushcharovsky D Y'
'Rastsvetaeva R K'
'Schenk K'
'Dimitrova O V'
_journal_name_full 'Crystallography Reports'
_journal_volume 43 
_journal_year 1998
_journal_page_first 189
_journal_page_last 192
_publ_section_title
;
 Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH)
 Note: y(O3) corrected
;
_database_code_amcsd 0012355
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb5 P3 O13 H'
_cell_length_a 9.774
_cell_length_b 9.774
_cell_length_c 7.291
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 603.202
_exptl_crystal_density_diffrn      7.366
_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_U_iso_or_equiv
Pb1   0.33333   0.66667   0.49730   0.01203
Pb2   0.23640   0.23190   0.25000   0.01735
P   0.40450   0.02310   0.25000   0.00507
O1   0.32560   0.84150   0.25000   0.00633
O2   0.58600   0.10050   0.25000   0.01393
O3   0.35410   0.08130   0.08132   0.01520
O-H   0.00000   0.00000   0.00000   0.05446
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
Pb1 0.01379 0.01379 0.00781 0.00690 0.00000 0.00000
Pb2 0.01053 0.01234 0.03016 0.01379 0.00000 0.00000
P 0.00544 0.00254 0.00566 0.00327 0.00000 0.00000
O1 0.01016 0.00617 0.00135 0.00653 0.00000 0.00000
O2 0.00617 0.01524 0.01966 0.00907 0.00000 0.00000
O3 0.01633 0.01125 0.01589 0.01379 -0.02126 -0.00500
O-H 0.02105 0.02105 0.12011 0.01053 0.00000 0.00000