#********************************************************************************* # # Crystallographic Information File for TMA-E (Aiello and Barrer) # # Reference : # Meier, W.M. and Groner, M. # J. Solid State Chem., 37, 204-218, (1981) # # # 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_TMA-E_(Aiello_and_Barrer) _chemical_name_systematic 'TMA-E (Aiello and Barrer)' _cell_length_a 13.28 _cell_length_b 13.28 _cell_length_c 15.21 _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 SI1 Si 0.233 0 0 0.9 0.739 SI2 Si 0.425 0.093 0.146 2.4 0.739 AL1 Al 0.233 0 0 0.9 0.261 AL2 Al 0.425 0.093 0.146 2.4 0.261 O1 O 0.309 -0.003 0.088 0.8 1 O2 O 0.212 0.106 0.006 0.5 1 O3 O 0.478 0.239 0.117 3.2 1 O4 O 0.399 0.081 0.25 2.6 1 O5 O 0.536 0.072 0.106 2 1 H2O1 O2-(H2O) 0.6667 0.3333 -0.003 5 0.87 H2O2 O2-(H2O) 0.461 -0.078 0.25 2 0.5 H2O3 O2-(H2O) 0.454 0.227 -0.122 5 0.91 H2O4 O2-(H2O) 0 0 -0.184 0.6 1.19 H2O5 O2-(H2O) 0.068 0.136 0.75 0.9 0.7 H2O6 O2-(H2O) 0.35 0.175 0.75 5 1.21 H2O7 O2-(H2O) 0.708 0.354 -0.073 2.1 0.49 # End of data for TMA-E_(Aiello_and_Barrer)