data_global _chemical_name_mineral 'Parawulffite' loop_ _publ_author_name 'Pekov I V' 'Zubkova N V' 'Yapaskurt V O' 'Belakovskiy D I' 'Chukanov N V' 'Lykova I S' 'Savelyev D P' 'Sidorov E G' 'Pushcharovsky D Y' _journal_name_full 'The Canadian Mineralogist' _journal_volume 52 _journal_year 2014 _journal_page_first 699 _journal_page_last 716 _publ_section_title ; Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia ; _database_code_amcsd 0020468 _chemical_compound_source 'Tolbachik volcano, Kamchatka, Russia' _chemical_formula_sum 'Na2.95 K4.75 Rb.25 Cs.14 Cu7.95 Zn.04 S8 O36' _cell_length_a 13.9043 _cell_length_b 4.9765 _cell_length_c 23.5855 _cell_angle_alpha 90 _cell_angle_beta 90.209 _cell_angle_gamma 90 _cell_volume 1631.982 _exptl_crystal_density_diffrn 3.325 _symmetry_space_group_name_H-M 'P 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-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 Na1 0.74450 0.74230 0.85080 0.98333 0.01600 Na2 0.00000 0.85700 0.25000 0.98333 0.02900 K1 0.50000 0.79410 0.25000 0.95000 0.02500 Rb1 0.50000 0.79410 0.25000 0.05000 0.02500 Cs1 0.50000 0.79410 0.25000 0.02800 0.02500 K2 0.38750 0.25650 0.54630 0.95000 0.06600 Rb2 0.38750 0.25650 0.54630 0.05000 0.06600 Cs2 0.38750 0.25650 0.54630 0.02800 0.06600 K3 0.92560 0.78420 0.43560 0.95000 0.08500 Rb3 0.92560 0.78420 0.43560 0.05000 0.08500 Cs3 0.92560 0.78420 0.43560 0.02800 0.08500 Cu1 0.21500 0.22810 0.41922 0.99375 0.01610 Zn1 0.21500 0.22810 0.41922 0.00500 0.01610 Cu2 0.28352 0.27300 0.30366 0.99375 0.01040 Zn2 0.28352 0.27300 0.30366 0.00500 0.01040 Cu3 0.35119 0.72360 0.38614 0.99375 0.01140 Zn3 0.35119 0.72360 0.38614 0.00500 0.01140 Cu4 0.15409 0.78400 0.34538 0.99375 0.00990 Zn4 0.15409 0.78400 0.34538 0.00500 0.00990 S1 0.25280 0.76700 0.22320 1.00000 0.01140 S2 0.22720 0.74290 0.49830 1.00000 0.01320 S3 0.48620 0.23840 0.37600 1.00000 0.01080 S4 0.01340 0.30170 0.35440 1.00000 0.01050 O1 0.25200 0.73700 0.16290 1.00000 0.01400 O2 0.29560 0.03600 0.23530 1.00000 0.01100 O3 0.31740 0.56500 0.24920 1.00000 0.01700 O4 0.15810 0.73900 0.24930 1.00000 0.01400 O5 0.16230 0.90100 0.46250 1.00000 0.01300 O6 0.32570 0.80400 0.48290 1.00000 0.02300 O7 0.21000 0.81300 0.55770 1.00000 0.01400 O8 0.20940 0.44900 0.48950 1.00000 0.01400 O9 0.45670 0.29200 0.31890 1.00000 0.01900 O10 0.03510 0.27100 0.41630 1.00000 0.01800 O11 0.91520 0.23200 0.34080 1.00000 0.03000 O12 0.58520 0.28200 0.38680 1.00000 0.02000 O13 0.42980 0.40100 0.41610 1.00000 0.02000 O14 0.26500 0.00000 0.35920 1.00000 0.00900 O15 0.24130 0.50300 0.36670 1.00000 0.00200 O16 0.46830 0.94300 0.39100 1.00000 0.01400 O17 0.03020 0.58400 0.33670 1.00000 0.01000 O18 0.08150 0.12100 0.32230 1.00000 0.01900