data_global _amcsd_formula_title 'Pb2O(OH)I' loop_ _publ_author_name 'Siidra O I' 'Zenko D Y' 'Suknotova A N' 'Krivovichev S V' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 3239 _journal_page_last 3248 _publ_section_title ; Crystal structure of a novel synthetic compound, Pb2O(OH)I, and structure refinement of iodolaurionite, Pb(OH)I: hydroxo- and oxocentred units in Pb minerals and synthetic compounds ; _database_code_amcsd 0020442 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pb2 O2 H I' _cell_length_a 13.711 _cell_length_b 4.0975 _cell_length_c 9.584 _cell_angle_alpha 90 _cell_angle_beta 110.64 _cell_angle_gamma 90 _cell_volume 503.877 _exptl_crystal_density_diffrn 7.571 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb1 0.15087 0.50000 0.53986 0.02050 Pb2 0.16367 0.50000 0.14171 0.02410 O1 0.24820 0.50000 0.38800 0.02600 O2 0.23870 0.50000 0.82800 0.02600 H1 0.19070 0.50000 0.88360 0.03900 I -0.00752 0.50000 0.23290 0.02620 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 0.01340 0.02090 0.02700 0.00000 0.00690 0.00000 Pb2 0.02510 0.02040 0.02400 0.00000 0.00530 0.00000 O1 0.01800 0.02300 0.03700 0.00000 0.00900 0.00000 O2 0.03200 0.02700 0.02500 0.00000 0.01700 0.00000 I 0.02160 0.01940 0.03540 0.00000 0.00730 0.00000