#********************************************************************************* # # Crystallographic Information File for RUB-3, as-made # # Reference : # Marler, B., Grünewald-Lüke, A. and Gies, H. # Zeolites, 15, 388-399, (1995) # # # 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_RUB-3_as-made _chemical_name_systematic 'RUB-3, as-made' _cell_length_a 14.039 _cell_length_b 13.602 _cell_length_c 7.428 _cell_angle_alpha 90 _cell_angle_beta 102.22 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'C 1 2/m 1' _symmetry_space_group_name_H-M 'C 1 2/m 1' _symmetry_space_group_name_Hall '-C 2y' _space_group.IT_number 12 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 0.10276 0.11212 -0.04452 0 1 SI2 Si 0.23364 0.11175 0.35042 0 1 SI3 Si 0.11292 0.21938 0.58774 0 1 O1 O 0 0.1419 0 0 1 O2 O 0.0994 0 -0.10716 0 1 O3 O 0.18747 0.12661 0.13589 0 1 O4 O 0.12441 0.17997 -0.20622 0 1 O5 O 0.26563 0 0.38796 0 1 O6 O 0.32712 0.18095 0.41035 0 1 O7 O 0.15422 0.13944 0.46724 0 1 O8 O 0 0.23919 0.5 0 1 # End of data for RUB-3_as-made