data_global _chemical_name_mineral 'Klyuchevskite' loop_ _publ_author_name 'Gorskaya M G' 'Filatov S K' 'Rozhdestvenskaya I V' 'Vergasova L P' _journal_name_full 'Mineralogical Magazine' _journal_volume 56 _journal_year 1992 _journal_page_first 411 _journal_page_last 416 _publ_section_title ; The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, a new mineral from Kamchatka volcanic sublimates ; _database_code_amcsd 0014497 _chemical_compound_source 'Tolbachik Main Fracture Eruption, Kamchatka Peninsula, Russia' _chemical_formula_sum 'K3 Cu3 (Fe.82 Al.18) S4 O18' _cell_length_a 18.6670 _cell_length_b 4.94 _cell_length_c 18.405 _cell_angle_alpha 90 _cell_angle_beta 101.5 _cell_angle_gamma 90 _cell_volume 1663.145 _exptl_crystal_density_diffrn 3.094 _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 0.44800 0.50000 1.00000 0.01862 K2 0.00000 0.46400 0.50000 1.00000 0.02140 K3 0.37000 0.50300 0.74600 1.00000 0.01900 K4 0.42900 -0.01900 0.28000 1.00000 0.02381 Cu1 0.18600 0.00000 0.53500 1.00000 0.01900 Cu2 0.25900 0.01500 0.41000 1.00000 0.01520 Cu3 0.17000 0.48500 0.41600 1.00000 0.01267 Fe 0.30200 0.52800 0.53100 0.82000 0.01140 Al 0.30200 0.52800 0.53100 0.18000 0.01140 S1 0.18400 0.53500 0.62800 1.00000 0.01330 S2 0.32900 0.48000 0.36600 1.00000 0.01672 S3 0.07400 -0.02200 0.36600 1.00000 0.01153 S4 0.40700 0.02000 0.60400 1.00000 0.01558 O1 0.17300 0.48000 0.70800 1.00000 0.01900 O2 0.13600 0.33400 0.56800 1.00000 0.01900 O3 0.16000 0.80000 0.60800 1.00000 0.01900 O4 0.26100 0.52100 0.62000 1.00000 0.01900 O5 0.35000 0.50700 0.44500 1.00000 0.01900 O6 0.39000 0.44300 0.32900 1.00000 0.01900 O7 0.31800 0.77600 0.35600 1.00000 0.01900 O8 0.27400 0.23300 0.34300 1.00000 0.01900 O9 0.00500 0.03800 0.31500 1.00000 0.01900 O10 0.09000 0.66300 0.36300 1.00000 0.01900 O11 0.06400 0.02700 0.44500 1.00000 0.01900 O12 0.13400 0.17800 0.35800 1.00000 0.01900 O13 0.47800 0.01400 0.57500 1.00000 0.01900 O14 0.41500 0.05200 0.68700 1.00000 0.01900 O15 0.39100 0.33100 0.58600 1.00000 0.01900 O16 0.34900 0.84100 0.55300 1.00000 0.01900 O17 0.23200 0.75500 0.47800 1.00000 0.01900 O18 0.22600 0.25400 0.47700 1.00000 0.01900