data_global _chemical_name_mineral 'Vermiculite' loop_ _publ_author_name 'Shirozu H' 'Bailey S W' _journal_name_full 'American Mineralogist' _journal_volume 51 _journal_year 1966 _journal_page_first 1124 _journal_page_last 1143 _publ_section_title ; Crystal structure of a two-layer Mg-vermiculite ; _database_code_amcsd 0000150 _chemical_formula_sum 'Mg1.705 (Si1.43 Al.57) O7.86 H4.72' _cell_length_a 5.349 _cell_length_b 9.255 _cell_length_c 28.89 _cell_angle_alpha 90 _cell_angle_beta 97.12 _cell_angle_gamma 90 _cell_volume 1419.171 _exptl_crystal_density_diffrn 2.129 _symmetry_space_group_name_H-M 'C 1 2/c 1' 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,-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 Mg1 0.00000 0.16380 0.25000 1.00000 0.01216 Mg2 0.00000 0.49970 0.25000 1.00000 0.01039 Mg3 0.00000 0.83320 0.25000 1.00000 0.01089 Mg4 0.00000 0.00000 0.00000 0.41000 0.02913 Si1 0.10420 0.99970 0.15450 0.71500 0.01558 Al1 0.10420 0.99970 0.15450 0.28500 0.01558 Si2 0.10260 0.66470 0.15470 0.71500 0.01051 Al2 0.10260 0.66470 0.15470 0.28500 0.01051 O1 0.14240 0.00390 0.21320 1.00000 0.01051 O2 0.14100 0.66830 0.21130 1.00000 0.01330 O3 0.35790 0.06970 0.13380 1.00000 0.02647 O4 0.35290 0.59640 0.13460 1.00000 0.02546 O5 0.55930 0.33160 0.13390 1.00000 0.02457 O-H 0.14200 0.33800 0.21290 1.00000 0.01532 Wat1 0.33630 0.97360 0.03970 0.62000 ? Wat2 0.35150 0.32740 0.04120 0.62000 ? Wat3 0.38320 0.65200 0.04140 0.62000 ? 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 Wat1 0.08578 0.10501 0.02498 -0.00597 0.02775 -0.04839 Wat2 0.10961 0.09807 0.02914 -0.04654 0.00848 -0.04973 Wat3 0.09791 0.11977 0.02498 -0.04504 0.05165 -0.04570