#********************************************************************************* # # Crystallographic Information File for LZ-135 # # Reference : # McCusker, L.B., Baerlocher, Ch., Wilson, S.T. and Broach, R.W # J. Phys. Chem. C, 113, 9838-9850, (2009) # # # 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_LZ-135 _chemical_name_systematic 'LZ-135' _cell_length_a 31.383 _cell_length_b 31.383 _cell_length_c 7.6513 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 63/m m c' _symmetry_space_group_name_H-M 'P 63/m m c' _symmetry_space_group_name_Hall '-P 6c 2c' _space_group.IT_number 194 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 SiAl1 Si 0.0531 0.4314 0.4558 0.9 1 SiAl2 Si 0.1912 0.4849 0.75 0.9 1 SiAl3 Si 0.1532 0.5262 0.4598 0.9 1 SiAl4 Si 0.0538 0.2059 0.4564 0.9 1 SiAl5 Si 0.0858 0.3848 0.75 0.9 1 SiAl6 Si 0.0917 0.2842 0.75 0.9 1 O1 O 0 0.4268 0.5 1.8 1 O2 O 0.0942 0.4887 0.504 1.8 1 O3 O 0.0591 0.3895 0.5686 1.8 1 O4 O 0.0554 0.418 0.25 1.8 1 O5 O 0.1907 0.5157 0.5772 1.8 1 O6 O 0.2394 0.4788 0.75 1.8 1 O7 O 0.1444 0.4277 0.75 1.8 1 O8 O 0.1663 0.5242 0.25 1.8 1 O9 O 0.1625 0.5812 0.514 1.8 1 O10 O 0 0.1582 0.5 1.8 1 O11 O 0.0562 0.2219 0.25 1.8 1 O12 O 0.094 0.188 0.499 1.8 1 O13 O 0.0624 0.2529 0.5758 1.8 1 O14 O 0.0866 0.3332 0.75 1.8 1 O15 O 0.1508 0.3016 0.75 1.8 1 Ow1 O 0.0459 0.3114 0.25 4 1 Ow2 O 0.1077 0.076 0.25 4 0.43 Na1 Na 0.2238 0.6119 0.75 3.9 0.49 Na2 Na 0.2668 0.5335 0.403 3.9 0.34 Na3 Na 0.1931 0.3862 0.75 3.9 0.66 Na4 Na 0.08444 0.5422 0.75 3.9 0.473 Na5 Na 0.01902 0.5095 0.616 3.9 0.26 Na6 Na 0 0.2923 0.5 3.9 0.88 # End of data for LZ-135