#********************************************************************************* # # Crystallographic Information File for MCM-68 # # Reference : # Dorset, D.L., Weston, S.C. and Dhingra, S.S. # J. Phys. Chem. B, 110, 2045-2050, (2006) # # # 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_MCM-68 _chemical_name_systematic 'MCM-68' _cell_length_a 18.286 _cell_length_b 18.286 _cell_length_c 20.208 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 42/m n m' _symmetry_space_group_name_H-M 'P 42/m n m' _symmetry_space_group_name_Hall '-P 4n 2n' _space_group.IT_number 136 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 0.1298 0.7543 0.11 1.018455 1 Si2 Si 0.1322 0.7487 0.2685 1.018455 1 Si3 Si 0.0306 0.2148 0.074 1.018455 1 Si4 Si 0.13 0.253 0.1859 1.018455 1 Si5 Si 0.0294 0.2174 0.3124 1.018455 1 Si6 Si 0.0622 0.0622 0.1402 1.018455 1 Si7 Si 0.0622 0.0622 0.2856 1.018455 1 Si8 Si 0.1331 0.254 0.4269 1.018455 1 O1 O 0.1199 0.7447 0.1892 1.634265 1 O2 O 0.0512 0.7521 0.0735 1.634265 1 O3 O 0.1801 0.6884 0.0823 1.634265 1 O4 O 0.168 0.832 0.0944 1.634265 1 O5 O 0.0532 0.753 0.3043 1.634265 1 O6 O 0.1746 0.6762 0.2935 1.634265 1 O7 O 0.1794 0.8206 0.2869 1.634265 1 O8 O 0.0815 0.2659 0.1202 1.634265 1 O9 O 0.0641 0.2161 0 1.634265 1 O10 O 0.0293 0.1317 0.1009 1.634265 1 O11 O 0.187 0.187 0.1732 1.634265 1 O12 O 0.0751 0.231 0.2452 1.634265 1 O13 O 0.0283 0.1303 0.3264 1.634265 1 O14 O 0.0691 0.2597 0.3727 1.634265 1 O15 O 0 0 0.1464 1.634265 1 O16 O 0.0886 0.0886 0.213 1.634265 1 O17 O 0 0 0.2785 1.634265 1 O18 O 0.1919 0.1919 0.4079 1.634265 1 O19 O 0.1007 0.2412 0.5 1.634265 1 # End of data for MCM-68