data_global _chemical_name_mineral 'Jamesite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 37 _journal_year 1999 _journal_page_first 53 _journal_page_last 60 _publ_section_title ; Local Pb-_ disorder in the crystal structure of jamesite, Pb2ZnFe2(Fe2.8Zn1.2)(AsO4)4(OH)8[(OH)1.2O.8], and revision of the chemical formula ; _database_code_amcsd 0005590 _chemical_formula_sum 'Pb4 As4 Zn2.2 Fe4.8 O26 H10' _cell_length_a 5.583 _cell_length_b 9.542 _cell_length_c 10.219 _cell_angle_alpha 109.81 _cell_angle_beta 90.57 _cell_angle_gamma 97.71 _cell_volume 506.653 _exptl_crystal_density_diffrn 6.445 _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 Pb1a 0.06010 0.72760 0.41790 1.00000 0.02460 Pb1b 0.14700 0.75400 0.39720 1.00000 0.05080 As1 0.20830 0.67890 0.76480 1.00000 0.00640 As2 0.31030 0.06330 0.72140 1.00000 0.00780 Zn1 0.00000 0.50000 0.00000 1.00000 0.01220 Fe2 0.50000 0.00000 0.00000 1.00000 0.00650 Fe3 0.50000 0.50000 0.50000 1.00000 0.00870 Fe4 0.23600 0.12550 0.27870 0.70000 0.01120 Zn4 0.23600 0.12550 0.27870 0.30000 0.01120 Fe5 0.49020 0.42420 0.83750 0.70000 0.00870 Zn5 0.49020 0.42420 0.83750 0.30000 0.00870 O1 0.46400 0.80500 0.83100 1.00000 0.01240 O2 0.19000 0.53400 0.82700 1.00000 0.01330 O3 -0.04300 0.75800 0.80800 1.00000 0.01020 O4 0.22100 0.60800 0.59100 1.00000 0.01130 O5 0.31200 0.23500 0.70200 1.00000 0.01450 O6 0.05000 -0.04300 0.63700 1.00000 0.01620 O7 0.54500 -0.01700 0.64400 1.00000 0.01730 O8 0.30100 0.09100 0.89200 1.00000 0.01090 O-H1 0.21600 0.67400 0.14300 1.00000 0.01140 O-H2 0.37000 0.51100 0.31600 1.00000 0.01100 O-H3 0.31100 0.39900 0.00600 1.00000 0.01120 O-H4 0.21100 -0.05100 0.09500 1.00000 0.01080 O-H5 0.29900 0.30100 0.45400 1.00000 0.01510 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 Pb1a 0.02950 0.02820 0.01800 0.01230 -0.00200 0.00730 Pb1b 0.06810 0.06390 0.03140 0.04050 0.02460 0.01840 As1 0.00810 0.00610 0.00590 0.00160 -0.00120 0.00310 As2 0.00960 0.00750 0.00710 0.00150 -0.00120 0.00350 Zn1 0.00970 0.01330 0.01320 0.00080 -0.00250 0.00470 Fe2 0.00750 0.00700 0.00510 0.00150 -0.00050 0.00240 Fe3 0.01300 0.00930 0.00450 0.00510 -0.00200 0.00210 Fe4 0.01320 0.01230 0.01080 0.00530 0.00260 0.00610 Zn4 0.01320 0.01230 0.01080 0.00530 0.00260 0.00610 Fe5 0.00910 0.00910 0.00810 0.00100 -0.00170 0.00320 Zn5 0.00910 0.00910 0.00810 0.00100 -0.00170 0.00320