data_global _chemical_name_mineral 'Minamiite' loop_ _publ_author_name 'Ossaka J' 'Hirabayashi J' 'Okada K' 'Kobayashi R' 'Hayashi T' _journal_name_full 'American Mineralogist' _journal_volume 67 _journal_year 1982 _journal_page_first 114 _journal_page_last 119 _publ_section_title ; Crystal structure of minamiite, a new mineral of the alunite group Note: mineral has been redefined as the 2R polytype of natroalunite ; _database_code_amcsd 0000857 _chemical_formula_sum 'S4 Al6 O28 K.2 Na.72 Ca.54 H12' _cell_length_a 6.981 _cell_length_b 6.981 _cell_length_c 33.490 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1413.452 _exptl_crystal_density_diffrn 2.806 _symmetry_space_group_name_H-M 'R -3 m' 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' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,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 S1 0.00000 0.00000 0.84580 1.00000 ? S2 0.00000 0.00000 0.34730 1.00000 ? Al 0.50010 -0.50010 0.24960 1.00000 ? O1 0.00000 0.00000 0.80220 1.00000 ? O2 0.00000 0.00000 0.30430 1.00000 ? O3 0.21810 -0.21810 0.02900 1.00000 ? O4 0.21830 -0.21830 0.52740 1.00000 ? O-h5 0.12680 -0.12680 0.92940 1.00000 ? O-h6 0.12390 -0.12390 0.43210 1.00000 ? K 0.00000 0.00000 0.00000 0.20000 0.03040 Na1 0.00000 0.00000 0.00000 0.44000 0.03040 Na2 0.00000 0.00000 0.50000 0.28000 0.02406 Ca 0.00000 0.00000 0.50000 0.54000 0.02406 H1 0.18000 -0.18000 0.94830 1.00000 0.03800 H2 0.18000 -0.18000 0.44770 1.00000 0.03800 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 S1 0.00190 0.00190 0.01110 0.00095 0.00000 0.00000 S2 0.01100 0.01100 0.00430 0.00550 0.00000 0.00000 Al 0.00530 0.00530 0.00930 0.00290 -0.00010 0.00010 O1 0.01660 0.01660 0.00760 0.00830 0.00000 0.00000 O2 0.00910 0.00910 0.00760 0.00455 0.00000 0.00000 O3 0.01190 0.01190 0.01030 0.00980 0.00100 -0.00100 O4 0.01160 0.01160 0.01050 0.00820 0.00050 -0.00050 O-h5 0.00780 0.00780 0.01450 0.00530 -0.00230 0.00230 O-h6 0.00350 0.00350 0.01740 -0.00100 -0.00170 0.00170