data_global _chemical_name_mineral 'Pattersonite' loop_ _publ_author_name 'Kolitsch U' 'Bernhardt H-J' 'Krause W' 'Blass G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 20 _journal_year 2008 _journal_page_first 281 _journal_page_last 288 _publ_section_title ; Pattersonite, PbFe3(PO4)2(OH)4[(H2O)0.5(OH)0.5]2, a new supergene phosphate mineral: description and crystal structure ; _database_code_amcsd 0007260 _chemical_compound_source 'Grube Vereinigung, near Eisenbach, Taunus, Hesse, Germany' _chemical_formula_sum 'Pb Fe3 P2 O14 H7' _cell_length_a 5.309 _cell_length_b 7.211 _cell_length_c 7.349 _cell_angle_alpha 87.74 _cell_angle_beta 86.38 _cell_angle_gamma 71.40 _cell_volume 266.061 _exptl_crystal_density_diffrn 4.167 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-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 Pb 0.50000 0.50000 0.50000 1.00000 0.01253 Fe1 0.00000 0.00000 0.00000 1.00000 0.01700 Fe2 0.00000 0.00000 0.50000 1.00000 0.02300 Fe3 0.50000 0.50000 0.00000 1.00000 0.01480 P 0.05030 0.35430 0.22440 1.00000 0.02180 O1 0.15480 0.19120 0.08630 1.00000 0.02120 O2 -0.22590 0.49350 0.18060 1.00000 0.02710 O3 0.25450 0.46550 0.21970 1.00000 0.02020 O4 0.01990 0.27050 0.41710 1.00000 0.02700 O-H5 0.11340 0.05300 0.74020 1.00000 0.01950 O-H6 0.36060 0.78890 0.03310 1.00000 0.01960 Wat7 -0.38800 0.13090 0.58140 0.50000 0.04100 O-H7 -0.38800 0.13090 0.58140 0.50000 0.04100 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 Pb 0.01250 0.01150 0.01170 -0.00119 -0.00072 -0.00024 Fe1 0.01090 0.03090 0.01260 -0.01080 0.00400 -0.01290 Fe2 0.03640 0.03820 0.00870 -0.03290 0.00720 -0.00570 Fe3 0.00850 0.02880 0.00960 -0.00910 0.00110 -0.00640 P 0.01450 0.04320 0.01550 -0.02010 0.00820 -0.01590