#********************************************************************************* # # Crystallographic Information File for Li-LSX # # Reference : # Feuerstein, M. and Lobo, R.F. # Chem. Mater., , 2197-2204, (1998) # # # 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_Li-LSX _chemical_name_systematic 'Li-LSX' _cell_length_a 25.6957 _cell_length_b 25.6957 _cell_length_c 25.6957 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'F d -3' _symmetry_space_group_name_H-M 'F d -3' _symmetry_space_group_name_Hall '-F 2uv 2vw 3' _space_group.IT_number 203 _space_group.IT_coordinate_system_code '2' 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 -0.048 0.1246 0.0376 1.5 1 Al1 Al -0.0511 0.0378 0.1224 1.5 1 O1 O -0.1045 0.0028 0.0972 2.13 1 O2 O 0.0001 -0.0007 0.1533 2.13 1 O3 O -0.022 0.0724 0.0702 2.13 1 O4 O -0.0742 0.0812 0.1711 2.13 1 Li1 Li 0.0466 0.0466 0.0466 4.58 0.978 Li2 Li 0.2232 0.2232 0.2232 2.92 1.047 Li3 Li 0.387 0.401 0.122 7.82 0.235 # End of data for Li-LSX