data_global _chemical_name_mineral 'Cerussite' loop_ _publ_author_name 'Ye Y' 'Smyth J R' 'Boni P' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 707 _journal_page_last 712 _publ_section_title ; Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K ; _database_code_amcsd 0018859 _chemical_compound_source 'Tsumeb, Namibia' _chemical_formula_sum 'Pb Ca.001 C O3' _cell_length_a 5.1820 _cell_length_b 8.4953 _cell_length_c 6.1436 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 270.458 _exptl_crystal_density_diffrn 6.563 _symmetry_space_group_name_H-M 'P m c n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' 'x,1/2-y,1/2+z' '-x,1/2+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_occupancy _atom_site_U_iso_or_equiv Pb 0.25000 0.41706 0.75405 0.99900 0.01330 Ca 0.25000 0.41706 0.75405 0.00100 0.01330 C 0.25000 0.76480 -0.08960 1.00000 0.01500 O1 0.25000 0.91250 -0.09450 1.00000 0.02200 O2 0.46330 0.68640 -0.08690 1.00000 0.01980 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 0.01330 0.01460 0.01210 0.00000 0.00000 0.00010 Ca 0.01330 0.01460 0.01210 0.00000 0.00000 0.00010 C 0.00900 0.03300 0.00200 0.00000 0.00000 0.00000 O1 0.02700 0.01400 0.02600 0.00000 0.00000 -0.00700 O2 0.02200 0.02100 0.01600 0.00300 0.00100 0.00100