data_global _chemical_name_mineral 'Arseniopleite' loop_ _publ_author_name 'Tait K T' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 71 _journal_page_last 77 _publ_section_title ; Refinement of the crystal structure of arseniopleite: Confirmation of its status as a valid species ; _database_code_amcsd 0005825 _chemical_formula_sum 'Ca.68 Na1.25 Pb.06 Ba.01 Mn2.21 Mg.52 Fe.27 As3 O12' _cell_length_a 6.8113 _cell_length_b 13.0358 _cell_length_c 11.3245 _cell_angle_alpha 90 _cell_angle_beta 100.25 _cell_angle_gamma 90 _cell_volume 989.464 _exptl_crystal_density_diffrn 4.267 _symmetry_space_group_name_H-M 'I 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,-y,z' '+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 CaX1 0.02170 0.00131 0.51196 0.34000 0.01270 NaX1 0.02170 0.00131 0.51196 0.16000 0.01270 NaX2 0.25000 0.01816 0.00000 0.93000 0.02670 PbX2 0.25000 0.01816 0.00000 0.06000 0.02670 BaX2 0.25000 0.01816 0.00000 0.01000 0.02670 MnM1 0.25000 0.73506 0.00000 1.00000 0.01148 MnM2 0.08846 0.15590 0.21656 0.60500 0.01132 MgM2 0.08846 0.15590 0.21656 0.26000 0.01132 FeM2 0.08846 0.15590 0.21656 0.13500 0.01132 As1 0.25000 0.28829 0.00000 1.00000 0.01037 As2 0.10766 0.88811 0.23133 1.00000 0.00967 O1 0.06690 0.21526 0.03833 1.00000 0.01480 O2 0.14810 0.12546 0.39581 1.00000 0.02450 O3 0.27710 0.83036 0.16070 1.00000 0.01430 O4 0.19630 0.90301 0.37980 1.00000 0.01500 O5 0.10190 0.31791 0.28168 1.00000 0.01530 O6 0.05520 0.00113 0.16087 1.00000 0.01600 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 NaX2 0.01870 0.04470 0.01760 0.00000 0.00550 0.00000 PbX2 0.01870 0.04470 0.01760 0.00000 0.00550 0.00000 BaX2 0.01870 0.04470 0.01760 0.00000 0.00550 0.00000 MnM1 0.01080 0.01190 0.01140 0.00000 0.00108 0.00000 MnM2 0.00950 0.01300 0.01150 -0.00058 0.00176 0.00017 MgM2 0.00950 0.01300 0.01150 0.00058 0.00176 0.00017 FeM2 0.00950 0.01300 0.01150 0.00058 0.00176 0.00017 As1 0.01044 0.00991 0.01185 0.00000 0.00496 0.00000 As2 0.00892 0.01111 0.00956 0.00053 0.00322 0.00024 O1 0.01100 0.01960 0.01480 -0.00250 0.00440 0.00180 O2 0.04080 0.01660 0.01790 -0.01450 0.00990 -0.00520 O3 0.01100 0.01750 0.01570 0.00070 0.00610 -0.00320 O4 0.01920 0.01480 0.01040 0.00160 0.00110 -0.00080 O5 0.00960 0.01910 0.01740 0.00250 0.00320 0.00130 O6 0.01890 0.01350 0.01560 0.00360 0.00300 0.00390