#********************************************************************************* # # Crystallographic Information File for ITQ-50, calcined # # Reference : # Jorda, J.L., Rey, F., Sastre, G., Valencia, S., Palomino, M., Corma, A., Segura, A., Errandonea, D., Lacomba, R., Manjon, F.J., Gomis, O., Kleppe, A.K., Jephcoat, A.P., Amboage, M. and Rodriguez-Velamazan, J.A. # Angew. Chem. Int. Ed., 52, 10458-10462, (2013) # # # 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_ITQ-50_calcined _chemical_name_systematic 'ITQ-50, calcined' _cell_length_a 15.3448 _cell_length_b 15.3448 _cell_length_c 11.8118 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 4/m b m' _symmetry_space_group_name_H-M 'P 4/m b m' _symmetry_space_group_name_Hall '-P 4 2ab' _space_group.IT_number 127 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 0.09347 0.73141 0.1864 3.9 1 Si2 Si 0.0284 0.32358 0 3.9 1 Si3 Si 0.1684 0.1855 0 3.9 1 Si4 Si 0.02832 0.86009 0.3699 3.9 1 O1 O 0.1304 0.8108 0.1114 2.9 1 O2 O 0.0459 0.7743 0.2952 2.9 1 O3 O 0.1759 0.6759 0.23 2.9 1 O4 O 0.0293 0.669 0.1137 2.9 1 O5 O 0.0718 0.2273 0 2.9 1 O6 O 0.1072 0.3928 0 2.9 1 O7 O 0.2318 0.2682 0 2.9 1 O8 O 0.0999 0.9337 0.3471 2.9 1 O9 O 0.0348 0.8313 0.5 2.9 1 # End of data for ITQ-50_calcined