#********************************************************************************* # # Crystallographic Information File for Phillipsite # # Reference : # Rinaldi, R., Pluth, J.J. and Smith, J.V. # Acta Crystallogr., B30, 2426-2433, (1974) # # # 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_Phillipsite _chemical_name_systematic 'Phillipsite' _cell_length_a 9.865 _cell_length_b 14.3 _cell_length_c 8.668 _cell_angle_alpha 90 _cell_angle_beta 124.2 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 1 21/m 1' _symmetry_space_group_name_H-M 'P 1 21/m 1' _symmetry_space_group_name_Hall '-P 2yb' _space_group.IT_number 11 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 K1 K 0.848 0.25 0.2076 2.4 1 CA Ca 0.608 0.6262 0.4401 2.14 0.412 SI1 Si 0.7362 0.0248 0.2805 1.08 0.669 SI2 Si 0.4206 0.1409 0.0019 1.06 0.669 SI3 Si 0.0604 0.0078 0.2844 1.11 0.669 SI4 Si 0.1204 0.1396 0.0421 1.14 0.669 AL1 Al 0.7362 0.0248 0.2805 1.08 0.331 AL2 Al 0.4206 0.1409 0.0019 1.06 0.331 AL3 Al 0.0604 0.0078 0.2844 1.11 0.331 AL4 Al 0.1204 0.1396 0.0421 1.14 0.331 O1 O 0.1335 0.0976 0.2289 2.04 1 O2 O 0.6445 0.5766 0.1878 1.94 1 O3 O 0.61 0.113 0.1728 1.89 1 O4 O 0.0254 0.9154 0.1494 1.85 1 O5 O 0.8957 0.044 0.2713 2.06 1 O6 O 0.3022 0.3738 0.0783 2.32 1 O7 O 0.7872 0.4795 0.4982 1.9 1 O8 O 0.5814 0.75 0.0616 1.94 1 O9 O 0.0665 0.25 0.0196 2.12 1 H2O1 O2-(H2O) 0.7551 0.75 0.4733 7.8 1 H2O2 O2-(H2O) 0.1552 0.75 0.4382 7.3 1 H2O3 O2-(H2O) 0.3208 0.8525 0.174 8.8 1 H2O4 O2-(H2O) 0.5085 0.25 0.4384 18.7 1 H2O5 O2-(H2O) 0.5 0.5 0.5 16.6 1 # End of data for Phillipsite