#********************************************************************************* # # Crystallographic Information File for IM-16 # # Reference : # Lorgouilloux, Y., Dodin, M., Paillaud, J.-L., Caullet, P., Michelin, L., Josien, L., Ersen, O., Bats, N. # J. Solid State Chem., 182, 622-629, (2009) # # # CIF downloaded from the IZA-SC Database of Zeolite Structures # Ch. Baerlocher and L.B. McCusker, # Database of Zeolite Structures: http://www.iza-structure.org/databases/ # #********************************************************************************** data_IM-16 _chemical_name_systematic 'IM-16' _cell_length_a 15.0861 _cell_length_b 17.7719 _cell_length_c 19.9764 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'C m c m' _symmetry_space_group_name_H-M 'C m c m' _symmetry_space_group_name_Hall '-C 2c 2' _space_group.IT_number 63 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_occupancy Ge1 Ge 0.3979 0.38872 0.44864 0.0415 0.625 Si1 Si 0.3979 0.38872 0.44864 0.0415 0.375 Ge2 Ge 0.3964 0.33933 0.60215 0.0415 0.526 Si2 Si 0.3964 0.33933 0.60215 0.0415 0.474 Ge3 Ge 0.1034 0.28321 0.59519 0.0415 0.555 Si3 Si 0.1034 0.28321 0.59519 0.0415 0.445 Si4 Si 0.3975 0.16704 0.5595 0.0415 0.478 Ge4 Ge 0.3975 0.16704 0.5595 0.0415 0.522 Si5 Si 0.2258 0.3901 0.67049 0.0415 0.893 Ge5 Ge 0.2258 0.3901 0.67049 0.0415 0.107 Si6 Si 0.276 0.0289 0.57462 0.0415 0.808 Ge6 Ge 0.276 0.0289 0.57462 0.0415 0.192 O1 O 0.3583 0.3685 0.5266 0.0498 1 O2 O 0.5 0.4205 0.453 0.0498 1 O3 O 0.396 0.2466 0.6039 0.0498 1 O4 O 0.3319 0.3749 0.6602 0.0498 1 O5 O 0.5 0.3727 0.6132 0.0498 1 O6 O 0.1735 0.3141 0.6494 0.0498 1 O7 O 0.372 0.1816 0.4792 0.0498 1 O8 O 0.3956 0.3113 0.4035 0.0498 1 O9 O 0.2065 0.4087 0.75 0.0498 1 O10 O 0 0.3147 0.6149 0.0498 1 O11 O 0.327 0.1075 0.5911 0.0498 1 O12 O 0.5 0.1295 0.5624 0.0498 1 O13 O 0.3333 0.4566 0.4163 0.0498 1 O14 O 0.1908 0.4626 0.626 0.0498 1 O15 O 0.2988 0 0.5 0.0498 1 Ow1 O 0 -0.0082 0.1602 0.125 0.109 Ow2 O 0.2488 0.2285 0.5504 0.125 0.157 # End of data for IM-16