#********************************************************************************* # # Crystallographic Information File for IM-10 # # Reference : # Mathieu, Y., Paillaud, J.-L., Caullet, P. and Bats, N. # Microporous Mesoporous Mat., 75, 13-22, (2004) # # # 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_IM-10 _chemical_name_systematic 'IM-10' _cell_length_a 9.1596 _cell_length_b 9.1596 _cell_length_c 28.5614 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P -4 n 2' _symmetry_space_group_name_H-M 'P -4 n 2' _symmetry_space_group_name_Hall 'P -4 -2n' _space_group.IT_number 118 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 Ge1 Ge 0.057554 0.265994 0.570198 0.88 1 Ge2 Ge 0.238499 0.563719 0.681376 0.88 1 Ge3 Ge 0.237983 0.560513 0.570161 0.88 1 Ge4 Ge 0.5 0.5 0.74953 0.88 1 Ge5 Ge 0.063726 0.261135 0.681355 0.88 1 Ge6 Ge 0 0 0.5 0.88 1 Ge7 Ge 0.5 0.5 0.5 0.88 1 O1 O 0.197332 0.385597 0.55494 0.99 1 O2 O 0.103463 0.118106 0.535923 0.99 1 O3 O 0.287778 0.634179 0.624067 0.99 0.49 O4 O 0.319534 0.524467 0.626056 0.99 0.51 O5 O 0.093401 0.644845 0.540062 0.99 0.525 O6 O 0.133705 0.726322 0.568163 0.99 0.475 O7 O 0.15964 0.40423 0.706751 0.99 0.59 O8 O 0.238351 0.366838 0.682042 0.99 0.41 O9 O 0.39737 0.60704 0.715278 0.99 1 O10 O 0.389102 0.380626 0.783688 0.99 1 O11 O 0.082566 0.19716 0.626293 0.99 1 O12 O 0.387271 0.608423 0.535217 0.99 1 O13 O -0.116377 0.304173 0.693352 0.99 1 F1 F 0 0.5 0.621325 3.4 1 N1 N 0.5 0 0.895049 2.5 0.5 C1 C 0.458354 0.086236 0.854073 2.5 0.25 C2 C 0.466741 -0.005755 0.810418 2.5 0.25 C3 C 0.464016 0.075983 0.765342 2.5 0.25 C4 C 0.521312 0.001888 0.72205 2.5 0.25 C5 C 0.464376 0.074942 0.677103 2.5 0.25 C6 C 0.573944 0.004541 0.640131 2.5 0.25 N2 N 0.5 0 0.594386 2.5 0.5 C7 C 0.478084 0.157763 0.5777 2.5 0.25 C8 C 0.343714 -0.071832 0.589528 2.5 0.25 C9 C 0.581305 -0.081456 0.559299 2.5 0.25 C10 C 0.510181 0.087124 0.938347 2.5 0.25 C11 C 0.671933 -0.055277 0.89107 2.5 0.25 C12 C 0.423748 -0.148161 0.90023 2.5 0.25 H1 H 0.362407 0.111698 0.86008 4.34 0.25 H2 H 0.524924 0.166835 0.855114 4.34 0.25 H3 H 0.560954 -0.056085 0.806906 4.34 0.25 H4 H 0.394335 -0.072303 0.805592 4.34 0.25 H5 H 0.377379 0.107577 0.758475 4.34 0.25 H6 H 0.532806 0.145673 0.768546 4.34 0.25 H7 H 0.618868 0.018997 0.723731 4.34 0.25 H8 H 0.498896 -0.09615 0.723971 4.34 0.25 H9 H 0.370005 0.040108 0.676249 4.34 0.25 H10 H 0.470215 0.173041 0.684282 4.34 0.25 H11 H 0.660313 0.060165 0.636805 4.34 0.25 H12 H 0.597178 -0.095188 0.647466 4.34 0.25 H13 H 0.422355 0.146244 0.552667 4.34 0.25 H14 H 0.435379 0.199584 0.60988 4.34 0.25 H15 H 0.571872 0.186646 0.572822 4.34 0.25 H16 H 0.283351 -0.009965 0.610798 4.34 0.25 H17 H 0.329599 -0.077733 0.559852 4.34 0.25 H18 H 0.363064 -0.15554 0.608798 4.34 0.25 H19 H 0.566349 -0.024638 0.532147 4.34 0.25 H20 H 0.676897 -0.081878 0.573971 4.34 0.25 H21 H 0.533692 -0.168122 0.559324 4.34 0.25 H22 H 0.469086 0.17771 0.929384 4.34 0.25 H23 H 0.462636 0.036484 0.963155 4.34 0.25 H24 H 0.605964 0.095149 0.942964 4.34 0.25 H25 H 0.716576 0.01514 0.875982 4.34 0.25 H26 H 0.70732 -0.08074 0.915723 4.34 0.25 H27 H 0.660189 -0.126006 0.869035 4.34 0.25 H28 H 0.401635 -0.1588 0.929336 4.34 0.25 H29 H 0.349666 -0.127763 0.878288 4.34 0.25 H30 H 0.485538 -0.215233 0.884104 4.34 0.25 # End of data for IM-10