#********************************************************************************* # # Crystallographic Information File for LSJ-10 # # Reference : # Armstrong, J.A. and Weller, M.T. # J. Am. Chem. Soc., 132, 15679-15686, (2010) # # # 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_LSJ-10 _chemical_name_systematic 'LSJ-10' _cell_length_a 12.7069 _cell_length_b 13.2309 _cell_length_c 13.9362 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P n m a' _symmetry_space_group_name_H-M 'P n m a' _symmetry_space_group_name_Hall '-P 2ac 2n' _space_group.IT_number 62 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 O1 O 0.7119 0.0931 0.4982 1.579 1 O2 O 0.5165 0.1006 0.4299 1.816 1 O3 O 0.5503 0.0851 0.6206 2.842 1 O4 O 0.595 0.25 0.5309 4.658 1 O5 O 0.8478 0.0398 0.8683 1.973 1 O6 O 0.5171 0.0476 0.2496 2.131 1 O7 O 1.0192 0.1263 0.415 1.973 1 O8 O 0.8366 0.0517 0.3491 1.658 1 O9 O 0.5819 0.25 0.9499 1.579 1 O10 O 0.8035 -0.0865 0.4885 1.973 1 O11 O 0.5074 0.0738 0.9002 1.973 1 Si1 Si 0.5937 0.1296 0.5196 1.95 1 Si2 Si 0.9629 0.035 0.3547 2.092 1 Si3 Si 0.578 0.1325 0.9829 2.139 1 Si4 Si 0.4664 -0.0022 0.6418 2.289 1 Be5 Be 0.7509 0.0055 0.4266 0 1 H2O2 O2-(H2O) 0.756 0.2 0.724 3.947 0.25 H2O3 O2-(H2O) 0.41 0.25 0.343 3.947 0.46 K1 K 0.5508 0.25 0.7506 7.027 0.91 K2 K 0.7618 -0.0053 0.6744 10.02 1 K3 K 0.3379 0.25 0.5601 14.6 1 N N 0.758 0.202 0.27 3.95 0.42 C1 C 0.81 0.25 0.346 3.95 0.15 C2 C 0.838 0.25 0.219 3.95 0.41 C3 C 0.66 0.25 0.263 3.95 0.36 C4 C 0.836 0.205 0.084 3.95 0.33 C5 C 0.8382 0.25 0.4641 3.95 1 C6 C 0.5514 0.25 0.2584 3.95 1 # End of data for LSJ-10