#********************************************************************************* # # Crystallographic Information File for ITQ-7, siliceous, calcined # # Reference : # Villaescusa, L.A., Barrett, P.A. and Camblor, M.A. # Angew. Chem. Int. Ed., 38, 1997-2000, (1999) # # # 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-7_siliceous_calcined _chemical_name_systematic 'ITQ-7, siliceous, calcined' _cell_length_a 12.8528 _cell_length_b 12.8528 _cell_length_c 25.2136 _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 m c' _symmetry_space_group_name_H-M 'P 42/m m c' _symmetry_space_group_name_Hall '-P 4c 2' _space_group.IT_number 131 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 0.1192 0.1146 0.06251 0 1 Si2 Si 0.3062 0.2511 0.90459 0 1 Si3 Si 0.5 0.1167 0.06146 0 1 Si4 Si 0.3822 0.3849 0.18813 0 1 Si5 Si 0.3793 0.388 0 0 1 O1 O 0.1426 0.1313 0 0 1 O2 O 0.1512 0 0.0788 0 1 O3 O 0 0.1379 0.0742 0 1 O4 O 0.2002 0.1888 0.087 0 1 O5 O 0.3996 0.1685 0.9116 0 1 O6 O 0.3197 0.3334 0.9486 0 1 O7 O 0.3205 0.3027 0.8453 0 1 O8 O 0.5 0 0.0759 0 1 O9 O 0.5 0.1373 0 0 1 O10 O 0.5 0.3733 0 0 1 O11 O 0.3327 0.5 0 0 1 O12 O 0.3584 0.3584 0.25 0 1 O13 O 0.5 0.3626 0.1782 0 1 O14 O 0.3552 0.5 0.1725 0 1 # End of data for ITQ-7_siliceous_calcined