data_global _chemical_name_mineral 'Osumilite' loop_ _publ_author_name 'Brown G E' 'Gibbs G V' _journal_name_full 'American Mineralogist' _journal_volume 54 _journal_year 1969 _journal_page_first 101 _journal_page_last 116 _publ_section_title ; Refinement of the crystal structure of osumilite ; _database_code_amcsd 0000188 _chemical_formula_sum '(K.71 Na.28 Ca.01) Mg.92 Fe1.28 Mn.16 Si10.2 Al4.44 O30.996 H1.992' _cell_length_a 10.155 _cell_length_b 10.155 _cell_length_c 14.284 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1275.676 _exptl_crystal_density_diffrn 2.711 _symmetry_space_group_name_H-M 'P 6/m c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,-z' '-x,-y,z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,-z' 'y,-x+y,z' '-x+y,y,1/2+z' 'x-y,-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 K 0.00000 0.00000 0.25000 0.71000 0.04559 Na 0.00000 0.00000 0.25000 0.28000 0.04559 Ca 0.00000 0.00000 0.25000 0.01000 0.04559 Mg 0.33330 0.66670 0.25000 0.46000 0.01140 Fe 0.33330 0.66670 0.25000 0.46000 0.01140 Mn 0.33330 0.66670 0.25000 0.08000 0.01140 Si1 0.10370 0.35130 0.10850 0.85000 0.01583 Al1 0.10370 0.35130 0.10850 0.15000 0.01583 Al2 0.50000 0.00000 0.25000 0.88000 0.01659 Fe2 0.50000 0.00000 0.25000 0.12000 0.01659 O1 0.12160 0.40460 0.00000 1.00000 0.03166 O2 0.21420 0.28370 0.13160 1.00000 0.03040 O3 0.13720 0.49130 0.17890 1.00000 0.02280 Wat 0.03100 0.11400 0.00000 0.16600 0.11399