data_global _chemical_name_mineral 'Bayldonite' loop_ _publ_author_name 'Ghose S' 'Wan C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 35 _journal_year 1979 _journal_page_first 819 _journal_page_last 823 _publ_section_title ; Structural chemistry of copper and zinc minerals. VI. Bayldonite, (Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure ; _database_code_amcsd 0009665 _chemical_compound_source 'Tsumeb, S.W. Africa' _chemical_formula_sum 'Cu3 Pb As2 O10 H2' _cell_length_a 10.147 _cell_length_b 5.892 _cell_length_c 14.081 _cell_angle_alpha 90 _cell_angle_beta 106.05 _cell_angle_gamma 90 _cell_volume 809.034 _exptl_crystal_density_diffrn 5.827 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 Cu1 0.00000 0.00000 0.00000 0.00836 Cu2 0.50000 0.00000 0.00000 0.00697 Cu3 0.25000 0.25000 0.50000 0.00735 Pb 0.00000 0.26980 0.25000 0.01507 As 0.29740 0.21640 0.14050 0.00507 O1 0.36720 0.45900 0.11790 0.00887 O2 0.14190 0.49860 0.41740 0.00874 O3 0.12150 0.22120 0.09710 0.01216 O4 0.34130 0.12600 0.25780 0.01773 O-h5 0.39600 0.24870 0.43730 0.00494 H 0.38000 0.10900 0.35400 0.03166 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 Cu1 0.01248 0.00317 0.00835 0.00131 0.00100 -0.00097 Cu2 0.01016 0.00475 0.00751 -0.00282 0.00501 -0.00153 Cu3 0.00829 0.00793 0.00594 0.00175 0.00020 0.00000 Pb 0.02505 0.01250 0.00631 0.00000 0.00214 0.00000 As 0.00877 0.00427 0.00297 -0.00055 0.00267 -0.00057 O1 0.00631 0.00973 0.01048 0.00128 0.00214 -0.00073 O2 0.00978 0.01104 0.00622 0.00204 0.00374 0.00182 O3 0.01094 0.01182 0.01484 -0.00367 0.00535 -0.00832 O4 0.04480 0.00737 0.00130 0.00987 0.00695 0.00521 O-h5 0.01248 0.00139 0.00111 -0.00274 0.00207 -0.00053