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 0020726 _chemical_compound_source 'Merehead quarry, Somerset, England' _chemical_formula_sum 'Pb1.5 C O4 H' _cell_length_a 5.2475 _cell_length_b 5.2475 _cell_length_c 23.6795 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 564.687 _exptl_crystal_density_diffrn 6.843 _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 0.21510 1.00000 0.01950 Pb2 0.91643 -0.91643 0.00118 0.16667 0.02450 C 0.33333 0.66667 0.23370 1.00000 0.02000 O 0.80840 -0.80840 -0.09950 1.00000 0.02180 O-H 0.00000 0.00000 0.31140 1.00000 0.04800 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 0.01960 0.01960 0.01940 0.00978 0.00000 0.00000 Pb2 0.03080 0.03080 0.02170 0.02280 -0.00080 0.00080 C 0.01600 0.01600 0.02800 0.00800 0.00000 0.00000 O 0.01600 0.01600 0.04000 0.01300 -0.00110 0.00110 O-H 0.06200 0.06200 0.01800 0.03100 0.00000 0.00000