#********************************************************************************* # # Crystallographic Information File for Beta polymorph B, siliceous # # Reference : # # , , , () # # # 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_Beta_polymorph_B_siliceous _chemical_name_systematic 'Beta polymorph B, siliceous' _cell_length_a 17.89654 _cell_length_b 17.92002 _cell_length_c 14.32815 _cell_angle_alpha 90 _cell_angle_beta 114.803 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'C 1 2/c 1' _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' _space_group.IT_number 15 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 0.60607 -0.02206 0.38112 0 1 Si2 Si 0.48332 -0.14331 0.3793 0 1 Si3 Si 0.79947 -0.21324 0.38677 0 1 Si4 Si 0.67495 -0.3375 0.38698 0 1 Si5 Si 0.91268 -0.33092 0.38275 0 1 Si6 Si 0.79042 -0.45237 0.38137 0 1 Si7 Si 0.5 0.11084 0.25 0 1 Si8 Si 0.69528 -0.08286 0.25183 0 1 Si9 Si 0.5 -0.27723 0.25 0 1 O10 O 0.53355 -0.08379 0.34288 0 1 O11 O 0.6481 -0.01901 0.5053 0 1 O12 O 0.5679 0.05877 0.33609 0 1 O13 O 0.67468 -0.0442 0.34022 0 1 O20 O 0.52172 -0.14542 0.50343 0 1 O21 O 0.38767 -0.11893 0.33454 0 1 O22 O 0.49034 -0.22518 0.33637 0 1 O30 O 0.73217 -0.27927 0.36034 0 1 O31 O 0.88292 -0.24602 0.38479 0 1 O32 O 0.76334 -0.14756 0.30231 0 1 O33 O 0.81946 -0.18012 0.49966 0 1 O40 O 0.70644 -0.42162 0.384 0 1 O41 O 0.58064 -0.32929 0.30322 0 1 O51 O 0.83406 -0.38605 0.34599 0 1 O52 O 0.95542 -0.33707 0.3036 0 1 O60 O 0.76924 -0.52075 0.30078 0 1 # End of data for Beta_polymorph_B_siliceous