data_global
_chemical_name_mineral 'Plumbonacrite'
loop_
_publ_author_name
'Krivovichev S V'
'Burns P C'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 64 
_journal_year 2000
_journal_page_first 1069
_journal_page_last 1075
_publ_section_title
;
 Crystal chemistry of basic lead carbonates
 II. Crystal structure of synthetic `plumbonacrite'
;
_database_code_amcsd 0014551
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb5 C3 (O12 H2)'
_cell_length_a 9.0921
_cell_length_b 9.0921
_cell_length_c 24.923
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1784.265
_exptl_crystal_density_diffrn      7.070
_symmetry_space_group_name_H-M 'P 63 c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x+y,-x,z'
  'y,x,z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+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   0.64630   0.00000   0.09310   1.00000   0.01480
Pb2   0.00000   0.00000   0.31710   1.00000   0.01740
Pb3   0.67810   0.00000   0.49900   1.00000   0.02270
Pb4   0.00000   0.24660   0.20000   1.00000   0.01840
Pb5   0.66667   0.33333   0.27980   1.00000   0.03710
Pb6   0.42650   0.07880   0.39140   0.50000   0.03800
C1   0.00000   0.00000   0.11000   1.00000   0.02000
C2   0.00000   0.00000   0.46500   1.00000   0.00700
C3   0.33333   0.66667   0.11200   1.00000   0.02000
C4   0.32300   0.32300   0.30200   1.00000   0.02000
C5   0.66667   0.33333   0.48600   1.00000   0.03000
O-H1   0.71100   0.00000   0.17710   1.00000   0.02000
O2   0.52500   0.19900   0.48140   1.00000   0.00800
O3   0.46900   0.46900   0.29440   1.00000   0.00500
O4   0.00000   0.13800   0.47760   1.00000   0.01900
O5   0.00000   0.00000   0.22000   1.00000   0.05000
O6   0.66667   0.33333   0.36600   1.00000   0.02000
O7   0.14300   0.00000   0.10200   1.00000   0.05200
O8   0.18500   0.32300   0.29950   1.00000   0.03400
O9   0.33200  -0.19000   0.12260   1.00000   0.03700
O-H10   0.64900   0.00000   0.40870   1.00000   0.01800
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 0.01500 0.01800 0.01200 0.00900 0.00000 0.00000
Pb2 0.02400 0.02400 0.00500 0.01190 0.00000 0.00000
Pb3 0.02100 0.02600 0.02300 0.01300 0.00000 0.00000
Pb4 0.03500 0.01000 0.01800 0.01750 0.00000 -0.00300
Pb5 0.02400 0.02400 0.06400 0.01190 0.00000 0.00000
Pb6 0.03100 0.05100 0.02200 0.01300 -0.00100 0.00000