#********************************************************************************* # # Crystallographic Information File for Losod # # Reference : # Schicker, P. # Ph.D. Thesis, ETH, Zurich, Switzerland, , , (1988) # # # 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_Losod _chemical_name_systematic 'Losod' _cell_length_a 12.906 _cell_length_b 12.906 _cell_length_c 10.541 _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 c' _symmetry_space_group_name_H-M 'P 63 m c' _symmetry_space_group_name_Hall 'P 6c -2c' _space_group.IT_number 186 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 NA1 Na 0.897 0.449 -0.018 11.2 0.98 NA2 Na 0.846 0.1539 -0.24 5.5 0.73 NA3 Na 0 0 -0.45 0 0.52 NA4 Na 0.6667 0.3333 -0.66 1.5 0.6 SI1 Si 0.25 -0.002 0 1.5 0.5 AL1 Al 0.25 -0.002 0 1.5 0.5 SI2 Si 0.414 0.084 0.248 1.9 0.5 AL2 Al 0.414 0.084 0.248 1.9 0.5 O1 O 0.22 0.11 -0.006 4.4 1 O2 O 0.358 0.025 0.102 2.1 1 O3 O 0.4581 0.229 0.257 5.8 1 O4 O 0.529 0.058 0.267 4.1 1 O5 O 0.125 -0.125 0.035 14.3 1 O6 O 0.312 0.007 0.354 3.5 1 H2O1 O2-(H2O) 0.749 0.251 -0.22 12.9 0.87 H2O2 O2-(H2O) 0.774 0.387 -0.442 13.7 0.88 H2O3 O2-(H2O) 0 0 -0.61 0.5 0.53 H2O4 O2-(H2O) 0 0 -0.24 0 0.52 H2O5 O2-(H2O) 0.6667 0.3333 0.06 11.5 0.86 # End of data for Losod