data_global _chemical_name_mineral 'Pseudoboleite' loop_ _publ_author_name 'Giuseppetti G' 'Mazzi F' 'Tadini C' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1992 _journal_year 1992 _journal_page_first 113 _journal_page_last 126 _publ_section_title ; The crystal structure of pseudoboleite: Pb31Cu24Cl62(OH)48; its relations with the structures of boleite and cumengeite ; _database_code_amcsd 0014859 _chemical_compound_source 'Boleo, Baja California, Mexico' _chemical_formula_sum 'Pb15.5 Cu12 Cl31 (O24 H24)' _cell_length_a 15.24 _cell_length_b 15.24 _cell_length_c 30.74 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 7139.598 _exptl_crystal_density_diffrn 5.099 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 Pb1 0.00000 0.27500 0.24210 1.00000 0.02890 Pb2 0.30420 0.30420 0.15100 1.00000 0.02610 Pb3 0.00000 0.50000 0.13510 1.00000 0.03080 Pb4 0.27400 0.50000 0.00000 1.00000 0.03330 Pb5a 0.00000 0.00000 0.39270 0.68700 0.02810 Pb5b 0.00000 0.00000 0.37060 0.31300 0.03140 Pb6 0.15470 0.00000 0.00000 0.47600 0.05660 Pb7 0.00000 0.00000 0.08370 0.46800 0.07130 Pb8 0.00000 0.50000 0.00000 0.44900 0.05410 Pb9 0.00000 0.00000 0.27160 0.63100 0.05270 Cu1 0.25660 0.09530 0.12670 1.00000 0.02140 Cu2 0.25650 0.25650 0.04710 1.00000 0.02220 Cl1 0.37810 0.11610 0.30760 1.00000 0.03090 Cl2 0.38370 0.38370 0.05920 1.00000 0.03230 Cl3 0.37800 0.37800 0.43830 1.00000 0.05220 Cl4 0.35790 0.35790 0.25120 1.00000 0.04100 Cl5 0.00000 0.17360 0.34020 1.00000 0.04240 Cl6 0.00000 0.37040 0.43410 1.00000 0.02950 Cl7 0.32650 0.00000 0.00000 1.00000 0.03300 Cl8 0.00000 0.00000 0.17390 1.00000 0.03850 O-H1 0.19120 0.31180 0.09430 1.00000 0.03040 O-H2 0.31080 0.31080 0.34600 1.00000 0.01830 O-H3 0.00000 0.33060 0.10510 1.00000 0.02490 O-H4 0.00000 0.21080 0.16320 1.00000 0.02330 O-H5 0.20990 0.32930 0.00000 1.00000 0.02740