data_global _chemical_name_mineral 'Prewittite' loop_ _publ_author_name 'Shuvalov R R' 'Vergasova L P' 'Semenova T F' 'Filatov S K' 'Krivovichev S V' 'Siidra O I' 'Rudashevsky N S' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 463 _journal_page_last 469 _publ_section_title ; Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure ; _database_code_amcsd 0019781 _chemical_compound_source 'Tolbachik fumaroles, Kamchatka peninsula, Russia' _chemical_formula_sum 'K.62 Pb1.45 Zn Cu6.15 Se2 O8 Cl10' _cell_length_a 9.132 _cell_length_b 19.415 _cell_length_c 13.213 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2342.636 _exptl_crystal_density_diffrn 4.030 _symmetry_space_group_name_H-M 'P n n m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '-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 K1 0.39820 0.44560 0.50000 0.22000 0.05000 K2 0.50000 0.00000 0.34090 0.40000 0.06730 Pb1 0.50000 0.00000 0.34090 0.60000 0.06730 Pb2 0.40460 0.09061 0.00000 0.85000 0.04350 Zn 0.39710 0.19280 0.50000 1.00000 0.03770 Cu1 0.33020 0.13100 0.00000 0.15000 0.04500 Cu2 0.42420 0.42480 0.00000 1.00000 0.04130 Cu3 0.41740 0.26232 0.00000 1.00000 0.03080 Cu4 0.08240 0.30985 0.31500 1.00000 0.03320 Cu5 0.23020 0.19533 0.17920 1.00000 0.03120 Se 0.41240 0.34134 0.22085 1.00000 0.02750 O1 0.41200 0.19110 0.10500 1.00000 0.03100 O2 0.04440 0.21450 0.25550 1.00000 0.03200 O3 0.26080 0.29100 0.23300 1.00000 0.03100 O4 0.42420 0.34310 0.09190 1.00000 0.03500 Cl1 0.00000 0.00000 0.37680 1.00000 0.05100 Cl2 0.22110 0.27880 0.50000 1.00000 0.04300 Cl3 0.11140 0.24870 0.00000 1.00000 0.04100 Cl4 0.16110 0.44950 0.00000 1.00000 0.05800 Cl5 0.16940 0.08420 0.13760 1.00000 0.04550 Cl6 0.36060 0.13410 0.35460 1.00000 0.04950 Cl7 0.13740 0.42230 0.33570 1.00000 0.04330 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 K1 0.05140 0.05160 0.04620 -0.00690 0.00000 0.00000 K2 0.09790 0.04310 0.06090 -0.01060 0.00000 0.00000 Pb1 0.09790 0.04310 0.06090 -0.01060 0.00000 0.00000 Pb2 0.04970 0.04130 0.03950 -0.00020 0.00000 0.00000 Zn 0.03340 0.03880 0.04080 -0.00080 0.00000 0.00000 Cu1 0.05290 0.03330 0.04840 0.00170 0.00000 0.00000 Cu2 0.06260 0.03160 0.02970 0.01170 0.00000 0.00000 Cu3 0.03450 0.03200 0.02570 -0.00160 0.00000 0.00000 Cu4 0.03510 0.02830 0.03600 0.00220 -0.00370 -0.00730 Cu5 0.03080 0.03140 0.03140 0.00200 0.00170 -0.00760 Se 0.03060 0.02660 0.02530 0.00130 -0.00070 0.00260 O1 0.03610 0.02680 0.02990 0.00090 -0.00590 -0.00040 O2 0.03550 0.03250 0.02810 0.00430 -0.00290 -0.00360 O3 0.02640 0.02540 0.04220 0.00220 -0.00210 -0.00440 O4 0.04110 0.03090 0.03420 -0.00010 0.00150 0.00040 Cl1 0.06920 0.03960 0.04350 0.01040 0.00000 0.00000 Cl2 0.04120 0.04580 0.04180 0.00770 0.00000 0.00000 Cl3 0.04010 0.04500 0.03740 -0.00430 0.00000 0.00000 Cl4 0.04890 0.06200 0.06430 -0.00690 0.00000 0.00000 Cl5 0.05140 0.04000 0.04510 0.00200 -0.00090 -0.00160 Cl6 0.05910 0.04780 0.04160 0.00240 -0.00290 -0.00720 Cl7 0.04650 0.03690 0.04630 0.00280 -0.00260 -0.00130