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: Ruby Island natural ; _database_code_amcsd 0007368 _chemical_formula_sum 'O18.7 Al4 Si5 Mg2 Na.05' _cell_length_a 17.066 _cell_length_b 9.722 _cell_length_c 9.345 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1550.482 _exptl_crystal_density_diffrn 2.559 _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 0.24747 -0.10311 0.35888 1.00000 O16 0.06232 -0.41636 0.34882 1.00000 O13 -0.17343 -0.31011 0.35848 1.00000 O26 0.04317 -0.24765 0.00000 1.00000 O21 0.12235 0.18473 0.00000 1.00000 O23 0.16477 -0.07966 0.00000 1.00000 AlT11 0.25000 0.25000 0.25014 1.00000 SiT16 0.00000 0.50000 0.25000 1.00000 SiT21 0.19268 0.07800 0.00000 1.00000 SiT23 -0.13523 0.23722 0.00000 1.00000 AlT26 0.05086 0.30802 0.00000 1.00000 MgM 0.33737 0.00000 0.25000 1.00000 NaChO 0.00000 0.00000 0.25000 0.05000 OCh1/4 0.00000 0.00000 0.25000 0.30000 OCh1/4a 0.06170 0.00000 0.25000 0.20000 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 0.01100 0.00760 0.00660 -0.00090 0.00240 -0.00070 O16 0.00770 0.01020 0.00780 -0.00080 -0.00010 -0.00290 O13 0.00990 0.00860 0.00790 0.00120 -0.00160 -0.00150 O26 0.00740 0.01490 0.01610 -0.00220 0.00000 0.00000 O21 0.01170 0.01090 0.01640 0.00490 0.00000 0.00000 O23 0.01400 0.00620 0.01680 -0.00260 0.00000 0.00000 AlT11 0.00850 0.00640 0.00630 0.00130 0.00000 0.00000 SiT16 0.00600 0.00700 0.00560 0.00000 0.00000 0.00000 SiT21 0.00650 0.00490 0.00540 0.00020 0.00000 0.00000 SiT23 0.00560 0.00570 0.00520 -0.00060 0.00000 0.00000 AlT26 0.00560 0.00610 0.00580 0.00070 0.00000 0.00000 MgM 0.00690 0.00650 0.00780 0.00000 0.00000 0.00010 NaChO 0.02000 0.03000 0.03000 0.00000 0.00000 0.00000 OCh1/4 0.07000 0.06000 0.03600 0.00000 0.00000 0.00000 OCh1/4a 0.07000 0.13000 0.01900 0.00000 0.00000 -0.01400