data_global
_chemical_name_mineral 'Hydrocerussite'
loop_
_publ_author_name
'Siidra O'
'Nekrasova D'
'Depmeier W'
'Chukanov N'
'Zaitsev A'
'Turner R'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 74 
_journal_year 2018
_journal_page_first 182
_journal_page_last 195
_publ_section_title
;
 Hydrocerussite-related minerals and materials: structural principles,
 chemical variations and infrared spectroscopy
;
_database_code_amcsd 0020727
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb1.5 C O4 H'
_cell_length_a 5.257
_cell_length_b 5.257
_cell_length_c 23.636
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 565.693
_exptl_crystal_density_diffrn      6.830
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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   0.00000   0.00000   0.21570   1.00000   0.02710
Pb2   0.91530  -0.91530   0.00191   0.16667   0.02860
C   0.33333   0.66667   0.23370   1.00000   0.03100
O   0.80830  -0.80830  -0.09790   1.00000   0.03800
O-H   0.00000   0.00000   0.31240   1.00000   0.07000
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 0.02490 0.02490 0.03140 0.01250 0.00000 0.00000
Pb2 0.03370 0.03370 0.02790 0.02380 -0.00150 0.00150
C 0.01200 0.01200 0.06800 0.00600 0.00000 0.00000
O 0.03200 0.03200 0.06300 0.02600 -0.00100 0.00100
O-H 0.09000 0.09000 0.03000 0.04500 0.00000 0.00000