data_global
_amcsd_formula_title 'Pb3O2(CO3)'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 64 
_journal_year 2000
_journal_page_first 1077
_journal_page_last 1087
_publ_section_title
;
 Crystal chemistry of basic lead carbonates. III. Crystal structures of
 Pb3O2(CO3) and NaPb2(OH)(CO3)2
;
_database_code_amcsd 0014552
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb3 C O5'
_cell_length_a 22.194
_cell_length_b 9.108
_cell_length_c 5.7405
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1160.401
_exptl_crystal_density_diffrn      8.169
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-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   0.42738   0.25000   0.78280   0.00820
Pb2   0.18557  -0.25000   0.78550   0.00960
Pb3   0.32522  -0.04870   0.78450   0.01320
Pb4   0.06986   0.02260   0.78210   0.01400
C1  -0.03600  -0.25000   0.74100   0.01200
C2   0.20700   0.25000   0.79900   0.01800
O1   0.12790  -0.09700   0.53200   0.00800
O2   0.12880  -0.09800   0.03400   0.00600
O3   0.14600   0.25000   0.78500   0.01500
O4   0.02300  -0.25000   0.78700   0.01200
O5  -0.06120  -0.12500   0.71000   0.02200
O6   0.23600   0.12700   0.78600   0.04100
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 0.00590 0.00890 0.00970 0.00000 0.00100 0.00000
Pb2 0.00470 0.01220 0.01200 0.00000 -0.00140 0.00000
Pb3 0.01880 0.00830 0.01240 -0.00770 0.00070 -0.00010
Pb4 0.01680 0.01500 0.01030 -0.00990 -0.00100 -0.00040