#********************************************************************************* # # Crystallographic Information File for EMM-25, calcined # # Reference : # Cho, J., Yun, Y., Xu, H., Sun, J., Burton, A.W., Strohmaier, K.G., Terefenko, G., Vroman, H., Afeworki, M., Cao, G., Wang, H., Zou, X., Willhammar, T. # Chem. Mater., 33, 4146-4135, (2021) # # CIF downloaded from the IZA-SC Database of Zeolite Structures # Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler # Database of Zeolite Structures: https://www.iza-structure.org/databases/ # #***************************************************************************************** data_EMM-25_calcined _chemical_name_systematic 'EMM-25, calcined' _cell_length_a 11.055 _cell_length_b 22.912 _cell_length_c 24.914 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'C m c 21' _symmetry_space_group_name_H-M 'C m c 21' _symmetry_space_group_name_Hall 'C 2c -2' _space_group.IT_number 36 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 0.5 0.4678 0.0568 9.32 1 Si2 Si 0 0.0512 0.16 6.95 1 Si3 Si 0.5 0.4745 0.2596 6.8 1 Si4 Si 0 0.0542 0.3592 7.03 1 Si5 Si 0.5 0.4673 0.4481 9.08 1 Si6 Si 0.2395 0.1213 0.3476 4.15 1 Si7 Si 0.3599 0.0605 0.4423 4.4 1 Si8 Si 0.2348 0.4356 0.4438 5.13 0.92 B08 B 0.2348 0.4356 0.4438 5.13 0.08 Si9 Si 0.1409 0.365 0.1528 4.68 1 Si10 Si 0.1414 0.239 0.1889 4.17 1 Si11 Si 0.2444 0.1219 0.1524 4.14 1 Si12 Si 0.3559 0.0644 0.0574 4.34 0.87 B012 B 0.3559 0.0644 0.0574 4.34 0.13 Si13 Si 0.2424 0.4345 0.0591 4.73 1 Si14 Si 0.1412 0.3676 0.3459 4.05 1 Si15 Si 0.1412 0.238 0.3136 4.5 0.86 B015 B 0.1412 0.238 0.3136 4.5 0.14 Si16 Si 0.242 0.4348 0.2509 4.48 1 Si17 Si 0.3596 0.0619 0.2507 4.07 1 O1 O 0 0.0189 0.0187 10.58 1 O2 O 0.5 0.4948 0.1219 9.55 1 O3 O 0 0.0243 0.2222 9.4 1 O4 O 0.5 0.496 0.3208 8.76 1 O5 O 0 0.0247 0.4208 7.9 1 O6 O 0.17 0.299 0.1591 7.19 1 O7 O 0.2243 0.1909 0.1609 6.32 1 O8 O 0.2988 0.1136 0.0971 7.1 1 O9 O 0.3839 0.4294 0.0623 8.45 1 O10 O 0.2072 0.5029 0.0756 7.66 1 O11 O 0.1777 0.4183 0.4982 6.71 1 O12 O 0.1733 0.3879 0.0967 6.71 1 O13 O 0.1114 0.0891 0.154 8.69 1 O14 O 0.335 0.0978 0.1944 7.03 1 O15 O 0.1806 0.4016 0.2942 9.47 1 O16 O 0.1765 0.2995 0.3397 5.92 1 O17 O 0.2232 0.1902 0.3412 5.92 1 O18 O 0.3251 0.1089 0.4002 6.32 1 O19 O 0.3814 0.4328 0.4475 7.34 1 O20 O 0.309 -0.0031 0.427 5.05 1 O21 O 0.3002 0.0772 0.4982 9.55 1 O22 O 0.2156 0.3906 0.3995 8.37 1 O23 O 0.1185 0.0926 0.3554 9.71 1 O24 O 0.2963 0.0934 0.2944 9.32 1 O25 O 0.2191 0.4038 0.1939 8.37 1 O26 O 0.1984 0.4996 0.2431 9.24 1 O27 O 0.1695 0.2424 0.25 6 1 O28 O 0.3855 0.4334 0.2585 8.69 1 O29 O 0 0.2249 0.1829 6.32 1 O30 O 0 0.3728 0.1451 12.55 1 O31 O 0 0.2245 0.3261 6.16 1 O32 O 0 0.3755 0.3389 7.5 1 O33 O 0.5 0.0522 0.0582 10.5 1 O34 O 0.5 0.0594 0.4448 7.66 1 O35 O 0.5 0.0554 0.2558 10.34 1 # End of data for EMM-25_calcined