#********************************************************************************* # # Crystallographic Information File for STA-2 # # Reference : # Noble, G.W., Wright, P.A. and Kvick, Å. # J. Chem. Soc., Dalton Trans., , 4485-4490, (1997) # # # 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_STA-2 _chemical_name_systematic 'STA-2' _cell_length_a 12.726 _cell_length_b 12.726 _cell_length_c 30.939 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'R -3' _symmetry_space_group_name_H-M 'R -3' _symmetry_space_group_name_Hall '-R 3' _space_group.IT_number 148 _space_group.IT_coordinate_system_code 'H' 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 Al1 Al 0.7533 0.7572 0.2954 1.3 1 Al2 Al 0.5762 0.9023 0.2165 1.71 1 P1 P 0.5778 0.9043 0.1144 1.53 1 P2 P 0.7568 1.0013 0.2914 1.08 1 O1 O 0.6138 0.9393 0.1617 2.75 1 O2 O 0.5341 0.7532 0.2251 2.76 1 O3 O 0.7928 0.9072 0.2939 3.05 1 O4 O 0.4612 0.928 0.231 2.81 1 O5 O 0.7014 0.9959 0.2472 2.66 1 O6 O 0.8644 1.1224 0.2968 2.75 1 O7 O 0.6689 0.9831 0.3267 3.64 1 O8 O 0.6563 0.0092 0.0856 2.7 1 N1 N 0 0 0.1025 5.43 1 C1 C 0 0 0.1842 7.76 1 C2 C -0.0415 0.0827 0.1662 10.66 1 C3 C -0.0415 0.0787 0.1177 11.13 1 C4 C -0.0312 0.0351 0.0556 17.02 1 C5 C 0 0 0.0241 14.9 1 H1 H 0 0 0.2147 0 1 H2 H 0.0103 0.1631 0.1757 0 1 H3 H -0.1222 0.0567 0.1762 0 1 H4 H 0.009 0.158 0.1069 0 1 H5 H -0.1226 0.0498 0.0498 0 1 H6 H 0.0075 0.1208 0.054 0 1 H7 H -0.1164 0.0017 0.054 0 1 H8 H 0.0851 0.0322 0.0249 0 1 H9 H -0.0211 0.0263 -0.0015 0 1 # End of data for STA-2