data_global
_chemical_name_mineral 'Phosgenite'
loop_
_publ_author_name
'Giuseppetti G'
'Tadini C'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 21 
_journal_year 1974
_journal_page_first 101
_journal_page_last 109
_publ_section_title
;
 Reexamination of the crystal structure of phosgenite, Pb2Cl2(CO3)
;
_database_code_amcsd 0015646
_chemical_compound_source 'Monteponi Mine, Iglesias, Iglesiente district, Cagliari Province, Sardinia, Italy'
_chemical_formula_sum 'Pb2 Cl2 C O3'
_cell_length_a 8.160
_cell_length_b 8.160
_cell_length_c 8.883
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 591.480
_exptl_crystal_density_diffrn      6.124
_symmetry_space_group_name_H-M 'P 4/m b m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '-y,x,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  'x,y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
Pb   0.16590   0.66590   0.25940   0.01583
Cl1   0.00000   0.00000   0.24280   0.02090
Cl2   0.35210   0.85210   0.50000   0.01887
C   0.32570   0.82570   0.00000   0.01355
O1   0.21100   0.71100   0.00000   0.01545
O2   0.37260   0.87260   0.12690   0.01254
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
Pb 0.01822 0.01822 0.01119 -0.00371 0.00147 0.00147
Cl1 0.01214 0.01214 0.03878 0.00000 0.00000 0.00000
Cl2 0.02260 0.02260 0.01119 -0.00337 0.00000 0.00000