#********************************************************************************* # # Crystallographic Information File for IDM-1 # # Reference : # Villaescusa, L.A., Li, J., Gao, Z., Sun, J. and Camblor M.A. # Angew. Chem. Int. Ed., 59, 11283–11286, (2020) # # CIF downloaded from the IZA-SC Database of Zeolite Structures # Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler # Database of Zeolite Structures: https://www.iza-structure.org/databases/ # #***************************************************************************************** data_IDM-1 _chemical_name_systematic 'IDM-1' _cell_length_a 20.0345 _cell_length_b 35.0704 _cell_length_c 13.366 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P n m a' _symmetry_space_group_name_H-M 'P n m a' _symmetry_space_group_name_Hall '-P 2ac 2n' _space_group.IT_number 62 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 Si1 Si 0.6845 0.4655 0.8374 1.3 1 Si2 Si 0.2806 0.4636 0.0276 1.3 1 Si3 Si 0.306 0.4854 0.8086 1.3 1 Si4 Si 0.6193 0.5994 0.469 1.3 1 Si5 Si 0.6203 0.4624 0.4706 1.3 1 Si6 Si 0.5756 0.4031 0.3286 1.3 1 Si7 Si 0.7269 0.3998 0.9689 1.3 1 Si8 Si 0.432 0.6826 0.6931 1.3 1 Si9 Si 0.198 0.6864 0.6786 1.3 1 Si10 Si 0.4213 0.4666 0.659 1.3 1 Si11 Si 0.5773 0.7047 0.6959 1.3 1 Si12 Si 0.6165 0.6845 0.482 1.3 1 Si13 Si 0.5731 0.4844 0.6899 1.3 1 Si14 Si 0.5738 0.5743 0.6876 1.3 1 Si15 Si 0.7314 0.3119 0.9575 1.3 1 Si16 Si 0.3126 0.7944 0.8234 1.3 1 Si17 Si 0.1791 0.25 0.6758 1.3 0.592 Si18 Si 0.3073 0.5738 0.8133 1.3 1 Si19 Si 0.1862 0.6015 0.6732 1.3 1 Si20 Si 0.402 0.75 0.5392 1.3 0.888 Si21 Si 0.5244 0.75 0.3952 1.3 0.824 Si22 Si 0.2429 0.75 0.5285 1.3 0.85 O1 O 0.4045 0.5789 0.5653 1.6 1 O2 O 0.5045 0.6932 0.7367 1.6 1 O3 O 0.3819 0.687 0.7863 1.6 1 O4 O 0.4176 0.4707 0.3244 1.6 1 O5 O 0.6157 0.5977 0.7701 1.6 1 O6 O 0.135 0.7101 0.7211 1.6 1 O7 O 0.2542 0.6833 0.7647 1.6 1 O8 O 0.5973 0.6797 0.5989 1.6 1 O9 O 0.2227 0.7114 0.5853 1.6 1 O10 O 0.4957 0.4731 0.6999 1.6 1 O11 O 0.3161 0.709 0.1226 1.6 1 O12 O 0.3113 0.5765 0.1162 1.6 1 O13 O 0.3733 0.4717 0.7541 1.6 1 O14 O 0.6117 0.4694 0.788 1.6 1 O15 O 0.6916 0.5751 0.9243 1.6 1 O16 O 0.4115 0.4092 0.4223 1.6 1 O17 O 0.7405 0.4731 0.7534 1.6 1 O18 O 0.2549 0.413 0.2455 1.6 1 O19 O 0.5954 0.5024 0.4258 1.6 1 O20 O 0.2999 0.4612 0.9107 1.6 1 O21 O 0.1965 0.5867 0.0233 1.6 1 O22 O 0.5845 0.5768 0.3783 1.6 1 O23 O 0.6963 0.4063 0.0786 1.6 1 O24 O 0.6954 0.6442 0.8663 1.6 1 O25 O 0.2947 0.5296 0.832 1.6 1 O26 O 0.5715 0.7143 0.4213 1.6 1 O27 O 0.5982 0.4661 0.5858 1.6 1 O28 O 0.608 0.6428 0.4356 1.6 1 O29 O 0.2846 0.6439 0.0617 1.6 1 O30 O 0.2004 0.4652 0.0372 1.6 1 O31 O 0.5051 0.4213 0.2956 1.6 1 O32 O 0.3067 0.5025 0.0779 1.6 1 O33 O 0.304 0.7038 0.9428 1.6 1 O34 O 0.4158 0.7856 0.6112 1.6 1 O35 O 0.6276 0.4081 0.2383 1.6 1 O36 O 0.8095 0.3004 0.9568 1.6 1 O37 O 0.4195 0.8586 0.6469 1.6 1 O38 O 0.5727 0.75 0.6818 1.6 1 O39 O 0.3231 0.75 0.5186 1.6 0.888 O40 O 0.3223 0.75 0.7995 1.6 1 O41 O 0.4506 0.75 0.4434 1.6 0.888 O42 O 0.5123 0.75 0.2761 1.6 0.824 O43 O 0.2172 0.75 0.4143 1.6 0.85 O44 O 0.2491 0.75 0.2295 1.6 0.592 O45 O 0.3861 0.75 0.2459 1.6 0.592 OW1 O 0.6105 0.3483 -0.357 20 1 OW2 O 0.194 0.6823 -0.6829 20 1 OW3 O 0.5363 0.7099 -0.9278 20 1 OW4 O 0.0533 0.6231 -1.6603 20 1 # End of data for IDM-1