data_global _chemical_name_mineral 'Cordierite' loop_ _publ_author_name 'Gibbs G V' _journal_name_full 'American Mineralogist' _journal_volume 51 _journal_year 1966 _journal_page_first 1068 _journal_page_last 1087 _publ_section_title ; The polymorphism of cordierite I: The crystal structure of low cordierite ; _database_code_amcsd 149 _chemical_formula_sum 'Al4 Si5 (Mg1.54 Fe.46) O18.48 Li.12 Na.1 Ca.03 K.02 H.96' _cell_length_a 17.083 _cell_length_b 9.738 _cell_length_c 9.335 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 1552.917 _exptl_crystal_density_diffrn 2.623 _symmetry_space_group_name_H-M 'C c c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,1/2+z' '1/2-x,1/2+y,1/2+z' 'x,-y,1/2-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2-x,1/2-y,z' '-x,-y,-z' '1/2-x,1/2-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 Al1 0.25 0.25 0.25 1.0 0.00279 Si2 0.0 0.5 0.25 0.92 0.00253 Al2 0.0 0.5 0.25 0.08 0.00253 Si3 0.1923 0.0781 0.0 1.0 0.00329 Si4 0.1351 -0.2372 0.0 1.0 0.00291 Al5 0.0506 0.3084 0.0 0.96 0.00317 Si5 0.0506 0.3084 0.0 0.04 0.00317 Mg 0.3374 0.0 0.25 0.77 0.00291 Fe 0.3374 0.0 0.25 0.23 0.00291 O1 0.2466 -0.104 0.3591 1.0 0.00342 O2 0.0616 -0.4167 0.3494 1.0 0.00304 O3 -0.173 -0.3091 0.3583 1.0 0.00393 O4 0.0434 -0.2453 0.0 1.0 0.00317 O5 0.1224 0.1848 0.0 1.0 0.00823 O6 0.1639 -0.0788 0.0 1.0 0.00684 Wat 0.0 0.0 0.25 0.48 0.0903 Li 0.0 0.0 0.25 0.12 0.0903 Na 0.0 0.0 0.25 0.1 0.0903 Ca 0.0 0.0 0.25 0.03 0.0903 K 0.0 0.0 0.25 0.02 0.0903