data_global _chemical_name_mineral 'Paseroite' loop_ _publ_author_name 'Mills S J' 'Bindi L' 'Cadoni M' 'Kampf A R' 'Ciriotti M E' 'Ferraris G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 24 _journal_year 2012 _journal_page_first 1061 _journal_page_last 1067 _publ_section_title ; Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group ; _database_code_amcsd 0019584 _chemical_compound_source 'the Molinello mine,Val Graveglia, Italy' _chemical_formula_sum '(Pb.61 Sr.39) Mn1.87 Zn.25 U.02 Fe1.04 Na.18 Mg.02 V7.74 Ti7.02 O38' _cell_length_a 10.3894 _cell_length_b 10.3894 _cell_length_c 20.8709 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1950.979 _exptl_crystal_density_diffrn 4.304 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 PbM0 0.00000 0.00000 0.00000 0.61000 0.02400 SrM0 0.00000 0.00000 0.00000 0.39000 0.02400 MnM1 0.00000 0.00000 0.50000 0.79000 0.01670 ZnM1 0.00000 0.00000 0.50000 0.19000 0.01670 UM1 0.00000 0.00000 0.50000 0.02000 0.01670 MnM2 0.00000 0.00000 0.31037 0.54000 0.01710 FeM2 0.00000 0.00000 0.31037 0.34000 0.01710 NaM2 0.00000 0.00000 0.31037 0.09000 0.01710 ZnM2 0.00000 0.00000 0.31037 0.03000 0.01710 MgM2 0.00000 0.00000 0.31037 0.01000 0.01710 VM3 0.18510 0.04422 0.16498 0.43000 0.01490 TiM3 0.18510 0.04422 0.16498 0.39000 0.01490 FeM3 0.18510 0.04422 0.16498 0.02000 0.01490 VM4 0.08385 0.33987 0.60882 0.43000 0.01650 TiM4 0.08385 0.33987 0.60882 0.39000 0.01650 FeM4 0.08385 0.33987 0.60882 0.02000 0.01650 VM5 0.07595 0.31544 0.38897 0.43000 0.01660 TiM5 0.07595 0.31544 0.38897 0.39000 0.01660 FeM5 0.07595 0.31544 0.38897 0.02000 0.01660 O1 0.13330 0.18880 0.55850 1.00000 0.02080 O2 0.71090 0.20500 0.44650 1.00000 0.01990 O3 0.36160 0.10200 0.55720 1.00000 0.02210 O4 0.59300 0.03320 0.54800 1.00000 0.02060 O5 0.05250 0.85310 0.33630 1.00000 0.02140 O6 0.36530 0.09850 0.33860 1.00000 0.02000 O7 0.00000 0.00000 0.21330 1.00000 0.01580 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 PbM0 0.02390 0.02390 0.02410 0.01194 0.00000 0.00000 SrM0 0.02390 0.02390 0.02410 0.01194 0.00000 0.00000 MnM1 0.01690 0.01690 0.01640 0.00850 0.00000 0.00000 ZnM1 0.01690 0.01690 0.01640 0.00850 0.00000 0.00000 UM1 0.01690 0.01690 0.01640 0.00850 0.00000 0.00000 MnM2 0.01700 0.01700 0.01740 0.00850 0.00000 0.00000 FeM2 0.01700 0.01700 0.01740 0.00850 0.00000 0.00000 NaM2 0.01700 0.01700 0.01740 0.00850 0.00000 0.00000 ZnM2 0.01700 0.01700 0.01740 0.00850 0.00000 0.00000 MgM2 0.01700 0.01700 0.01740 0.00850 0.00000 0.00000 VM3 0.01510 0.01520 0.01480 0.00790 -0.00030 -0.00050 TiM3 0.01510 0.01520 0.01480 0.00790 -0.00030 -0.00050 FeM3 0.01510 0.01520 0.01480 0.00790 -0.00030 -0.00050 VM4 0.01740 0.01640 0.01640 0.00900 -0.00020 -0.00020 TiM4 0.01740 0.01640 0.01640 0.00900 -0.00020 -0.00020 FeM4 0.01740 0.01640 0.01640 0.00900 -0.00020 -0.00020 VM5 0.01690 0.01640 0.01680 0.00840 0.00010 -0.00010 TiM5 0.01690 0.01640 0.01680 0.00840 0.00010 -0.00010 FeM5 0.01690 0.01640 0.01680 0.00840 0.00010 -0.00010 O1 0.01900 0.02400 0.01840 0.01030 -0.00070 -0.00080 O2 0.02000 0.01900 0.02120 0.01050 -0.00060 -0.00160 O3 0.02100 0.02200 0.02300 0.01100 -0.00140 -0.00030 O4 0.02100 0.01800 0.02080 0.00830 0.00030 0.00010 O5 0.02000 0.01700 0.02600 0.00770 0.00090 0.00210 O6 0.02200 0.02000 0.01980 0.01100 -0.00150 -0.00030 O7 0.01600 0.01600 0.01500 0.00810 0.00000 0.00000