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#*************************************************************************** # # Crystallographic Information File for ZSM-12, Calcined # # Fyfe, C.A., Gies, H., Kokotailo, G.T., Marler, B. and Cox, D.E. # J. Phys. Chem., 94, 3718-3721 (1990) # # CIF taken 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_MTW _chemical_name_systematic 'ZSM-12, Calcined' _chemical_formula_structural '[Si56O112]' _cell_length_a 24.8633 _cell_length_b 5.01238 _cell_length_c 24.3275 _cell_angle_alpha 90 _cell_angle_beta 107.7215 _cell_angle_gamma 90 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'C12/c1' 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 0.4402 0.5319 0.4129 0 1 SI2 Si 0.0678 -0.0708 0.4589 0 1 SI3 Si 0.3754 0.0320 0.3609 0 1 SI4 Si 0.1338 0.4218 0.4484 0 1 SI5 Si 0.2836 0.0822 0.4275 0 1 SI6 Si 0.2139 0.5853 0.3832 0 1 SI7 Si 0.2869 0.0100 0.2463 0 1 O1 O 0.4280 0.5053 0.4730 0 1 O2 O 0.5034 0.4725 0.4225 0 1 O3 O 0.4245 0.8220 0.3872 0 1 O4 O 0.3301 -0.0045 0.3956 0 1 O5 O 0.0841 -0.3624 0.4513 0 1 O6 O 0.3452 -0.0218 0.2972 0 1 O7 O 0.2504 0.2441 0.2629 0 1 O8 O 0.2602 0.3716 0.4078 0 1 O9 O 0.1554 0.5101 0.3911 0 1 O10 O 0.1853 0.4480 0.5026 0 1 O11 O 0.2997 0.0905 0.1886 0 1 O12 O 0.3995 0.3370 0.3702 0 1 O13 O 0.1069 0.1372 0.4394 0 1 O14 O 0.2343 0.8828 0.4093 0 1 # End of data for ZSM-12, Calcined |
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