data_global _chemical_name_mineral 'Cordierite' loop_ _publ_author_name 'Armbruster T' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 12 _journal_year 1985 _journal_page_first 233 _journal_page_last 245 _publ_section_title ; Ar, N2, CO2 in the structural cavities of cordierite, an optical and X-ray single-crystal study Sample: White Well Ar ; _database_code_amcsd 0007365 _chemical_formula_sum 'O18 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 Ar.72' _cell_length_a 17.069 _cell_length_b 9.718 _cell_length_c 9.355 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1551.775 _exptl_crystal_density_diffrn 2.646 _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 O11 0.24705 -0.10287 0.35888 1.00000 O16 0.06241 -0.41625 0.34866 1.00000 O13 -0.17361 -0.31026 0.35840 1.00000 O26 0.04355 -0.25090 0.00000 1.00000 O21 0.12229 0.18525 0.00000 1.00000 O23 0.16385 -0.07954 0.00000 1.00000 AlT11 0.25000 0.25000 0.24983 1.00000 SiT16 0.00000 0.50000 0.25000 1.00000 SiT21 0.19233 0.07803 0.00000 1.00000 SiT23 -0.13530 0.23787 0.00000 1.00000 AlT26 0.05080 0.30851 0.00000 1.00000 MgM 0.33733 0.00000 0.25000 0.95500 FeM 0.33733 0.00000 0.25000 0.04500 MnM 0.33733 0.00000 0.25000 0.00500 NaChO 0.00000 0.00000 0.25000 0.05000 ArCh1/4 0.00000 0.00000 0.25000 0.72000 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 O11 0.00980 0.00650 0.00720 -0.00100 0.00300 -0.00100 O16 0.00650 0.00880 0.00750 -0.00080 0.00000 -0.00300 O13 0.00850 0.00760 0.00740 0.00140 -0.00220 -0.00200 O26 0.00560 0.01350 0.01490 -0.00180 0.00000 0.00000 O21 0.00970 0.00920 0.01490 0.00450 0.00000 0.00000 O23 0.01330 0.00420 0.01570 -0.00320 0.00000 0.00000 AlT11 0.00790 0.00470 0.00530 0.00110 0.00000 0.00000 SiT16 0.00490 0.00560 0.00470 0.00000 0.00000 0.00000 SiT21 0.00540 0.00340 0.00540 0.00010 0.00000 0.00000 SiT23 0.00470 0.00420 0.00510 -0.00070 0.00000 0.00000 AlT26 0.00460 0.00470 0.00530 0.00060 0.00000 0.00000 MgM 0.00670 0.00630 0.00910 0.00000 0.00000 -0.00020 FeM 0.00670 0.00630 0.00910 0.00000 0.00000 -0.00020 MnM 0.00670 0.00630 0.00910 0.00000 0.00000 -0.00020 NaChO 0.05000 0.03000 0.09000 0.00000 0.00000 0.00000 ArCh1/4 0.09500 0.05100 0.04500 0.00000 0.00000 0.00000