data_global
_chemical_name_mineral 'Pyromorphite'
loop_
_publ_author_name
'Mills S J'
'Ferraris G'
'Kampf A R'
'Favreau G'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 415
_journal_page_last 418
_publ_section_title
;
 Twinning in pyromorphite: The first documented occurrence of
 twinning by merohedry in the apatite supergroup
;
_database_code_amcsd 0020825
_chemical_compound_source 'Puech de Compolibat, Combret, Aveyron'
_chemical_formula_sum 'Pb5 P3 O12 Cl'
_cell_length_a 10.0017
_cell_length_b 10.0017
_cell_length_c 7.3413
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 635.991
_exptl_crystal_density_diffrn      7.083
_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  -0.33333  -0.00478   0.02470
Pb2   0.25475   0.00601  -0.25000   0.02440
P   0.41040  -0.62150  -0.25000   0.01560
O1  -0.14370  -0.65540   0.25000   0.02800
O2   0.52480   0.11540  -0.25000   0.02200
O3   0.36160  -0.72500  -0.08020   0.02860
Cl   0.00000   0.00000   0.50000   0.02360
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 0.02630 0.02630 0.02150 0.01314 0.00000 0.00000
Pb2 0.01760 0.02090 0.03440 0.00930 0.00000 0.00000
P 0.01250 0.01630 0.01760 0.00690 0.00000 0.00000
O1 0.01700 0.03300 0.02400 0.00600 0.00000 0.00000
O2 0.01800 0.01500 0.02400 0.00200 0.00000 0.00000
O3 0.03100 0.03200 0.02900 0.02000 0.01300 0.01200
Cl 0.02040 0.02040 0.03000 0.01020 0.00000 0.00000