data_global _chemical_name_mineral 'Alumoklyuchevskite' loop_ _publ_author_name 'Krivovichev S V' 'Filatov S K' 'Cherepansky P N' _journal_name_full 'Geology of Ore Deposits' _journal_volume 51 _journal_year 2009 _journal_page_first 656 _journal_page_last 662 _publ_section_title ; The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976 ; _database_code_amcsd 0017777 _chemical_compound_source 'Great Tolbachik Fissure Eruption,' _chemical_formula_sum 'K3 Cu3 (Al.64 Fe.36) S4 O18' _cell_length_a 18.772 _cell_length_b 4.967 _cell_length_c 18.468 _cell_angle_alpha 90 _cell_angle_beta 101.66 _cell_angle_gamma 90 _cell_volume 1686.432 _exptl_crystal_density_diffrn 2.999 _symmetry_space_group_name_H-M 'I 1 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+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 K1 0.50000 0.48300 0.50000 1.00000 0.03100 K2 0.00000 0.46400 0.50000 1.00000 0.02500 K3 0.37000 0.51900 0.74650 1.00000 0.02000 K4 0.42940 0.03700 0.27760 1.00000 0.03400 Cu1 0.18660 0.00180 0.53270 1.00000 0.02110 Cu2 0.26000 -0.01370 0.40980 1.00000 0.01390 Cu3 0.16930 0.48500 0.41670 1.00000 0.01290 AlMc 0.30250 0.51400 0.52820 0.64000 0.02000 FeMc 0.30250 0.51400 0.52820 0.36000 0.02000 S1 0.18350 0.50300 0.62590 1.00000 0.02900 S2 0.33090 0.48700 0.36490 1.00000 0.01400 S3 0.07280 -0.01500 0.36920 1.00000 0.01300 S4 0.40590 0.02400 0.60220 1.00000 0.01900 O1 0.18380 0.46000 0.70510 1.00000 0.04000 O2 0.13380 0.35600 0.57180 1.00000 0.04000 O3 0.16070 0.78600 0.60870 1.00000 0.01700 O4 0.26030 0.48000 0.61700 1.00000 0.01700 O5 0.35630 0.56000 0.44280 1.00000 0.00500 O6 0.38940 0.43400 0.32480 1.00000 0.04000 O7 0.31240 0.77700 0.35690 1.00000 0.03300 O8 0.26500 0.32900 0.34170 1.00000 0.03400 O9 0.00670 -0.04800 0.31600 1.00000 0.04900 O10 0.09010 0.70000 0.35940 1.00000 0.03400 O11 0.06500 0.02400 0.44530 1.00000 0.03100 O12 0.13110 0.15600 0.35510 1.00000 0.03600 O13 0.47340 0.02800 0.57630 1.00000 0.01800 O14 0.41470 -0.00500 0.68230 1.00000 0.02300 O15 0.38450 0.31000 0.58310 1.00000 0.02800 O16 0.34760 0.85560 0.56510 1.00000 0.02500 O17 0.23200 0.73200 0.48000 1.00000 0.04000 O18 0.23300 0.23100 0.47600 1.00000 0.04000