#********************************************************************************* # # Crystallographic Information File for SU-15 # # Reference : # Tang, L., Shi, L., Bonneau, C., Sun, J., Yue, H., Ojuva, A., Lee, B.-L., Kritikos, M., Bell, R.G., Bacsik, Z., Mink, J. and Zou, X. # Nature Mater., 7, 381-385, (2008) # # # 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_SU-15 _chemical_name_systematic 'SU-15' _cell_length_a 20.578 _cell_length_b 12.401 _cell_length_c 10.457 _cell_angle_alpha 90 _cell_angle_beta 104.58 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'C 1 2/c 1' _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' _space_group.IT_number 15 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 Ge1 Ge 0.30607 0.09677 0.18033 0.758016 0.7331 Ge2 Ge 0.30373 -0.09227 0.37763 0.813288 0.7511 Ge3 Ge 0.34845 0.33902 0.1978 0.836976 0.6401 Ge4 Ge 0.34438 0.33428 -0.10102 0.860664 0.5931 Ge5 Ge 0.45298 0.49325 -0.1492 0.742224 0.2201 Si1 Si 0.30607 0.09677 0.18033 0.758016 0.2672 Si2 Si 0.30373 -0.09227 0.37763 0.813288 0.2492 Si3 Si 0.34845 0.33902 0.1978 0.836976 0.3602 Si4 Si 0.34438 0.33428 -0.10102 0.860664 0.4072 Si5 Si 0.45298 0.49325 -0.1492 0.742224 0.7802 O11 O 0.34107 0.0015 0.299 1.721328 1 O10 O 0.5 0.4736 -0.25 3.86904 1 O9 O 0.3071 0.0396 0.0316 1.887144 1 O8 O 0.4052 0.3863 -0.1674 1.863456 1 O7 O 0.5 0.5 0 3.71112 1 O6 O 0.3636 0.3849 0.0546 2.416176 1 O5 O 0.3597 0.204 0.22 1.792392 1 O4 O 0.4102 0.3945 0.3213 2.179296 1 O3 O 0.2279 0.1222 0.2033 2.037168 1 O2 O 0.2249 -0.1157 0.2774 1.887144 1 O1 O 0.3578 -0.1998 0.3875 1.966104 1 F1 F 0.25 0.25 0 6.39576 1 N1 N 0.4668 0.8025 0.235 0.23688 0.25 N1' N 0.4697 0.8606 0.1938 0.3948 0.25 C1 C 0.3676 0.7727 0.054 3.948 0.5 C2 C 0.432 0.8324 0.095 2.84256 0.5 C3 C 0.4721 0.8258 0.01 4.26384 0.5 # End of data for SU-15