data_global _amcsd_formula_title 'NaPb2(OH)(CO3)2' 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 0014553 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na Pb2 (O7 C2) H' _cell_length_a 5.276 _cell_length_b 5.276 _cell_length_c 13.474 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 324.815 _exptl_crystal_density_diffrn 5.873 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.33333 -0.33333 0.65030 0.02100 Pb1 0.66667 0.33333 0.81950 0.01800 Pb2 0.33333 0.66667 0.98830 0.01900 O-H3 0.66667 0.33333 0.65400 0.04600 C1 0.00000 0.00000 0.78500 0.01500 C2 0.00000 0.00000 0.02800 0.01600 O1 0.71800 -0.14100 0.78560 0.02000 O2 0.27700 0.13850 0.02640 0.02500 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 Na 0.03100 0.03100 0.00000 0.01600 0.00000 0.00000 Pb1 0.01900 0.01900 0.01800 0.01000 0.00000 0.00000 Pb2 0.02300 0.02300 0.01100 0.01200 0.00000 0.00000 O-H3 0.06500 0.06500 0.01000 0.03200 0.00000 0.00000 C1 0.02000 0.02000 0.00600 0.01000 0.00000 0.00000 C2 0.01900 0.01900 0.01100 0.01000 0.00000 0.00000 O1 0.00700 0.01800 0.03300 0.00400 0.00200 0.00100 O2 0.01800 0.02300 0.03100 0.00900 -0.00500 -0.00200