data_global _amcsd_formula_title 'Pb2(AsO2OH)Cl2' loop_ _publ_author_name 'Siidra O I' 'Chukanov N V' 'Pekov I V' 'Krivovichev S V' 'Magganas A' 'Katerinopoulos A' 'Voudouris P' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 597 _journal_page_last 602 _publ_section_title ; Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization ; _database_code_amcsd 0019001 _chemical_compound_source 'Lavrion, Greece' _chemical_formula_sum 'Pb2 As O3 Cl2 H' _cell_length_a 6.4235, _cell_length_b 5.5399, _cell_length_c 9.321 _cell_angle_alpha 90 _cell_angle_beta 90.767 _cell_angle_gamma 90 _cell_volume 331.663 _exptl_crystal_density_diffrn 6.100 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-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 0.28891 0.25000 0.44158 0.01320 Pb2 0.53034 0.25000 0.83922 0.01630 As1 0.77360 0.25000 0.31270 0.01030 O2 0.59520 0.01340 0.35070 0.01500 O-H1 0.74200 0.25000 0.11800 0.02300 Cl1 0.23990 0.25000 0.09830 0.02030 Cl2 0.88710 0.25000 0.66020 0.01830 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 0.00760 0.01230 0.01980 0.00000 0.00110 0.00000 Pb2 0.01540 0.01800 0.01580 0.00000 0.00330 0.00000 As1 0.00570 0.01090 0.01440 0.00000 0.00130 0.00000 O2 0.00800 0.00900 0.03000 0.00000 0.00000 -0.00100 O-H1 0.01600 0.03800 0.01600 0.00000 0.00300 0.00000 Cl1 0.01200 0.02600 0.02200 0.00000 0.00400 0.00000 Cl2 0.01400 0.01300 0.02600 0.00000 0.00400 0.00000