#*********************************************************************************
#
# 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 and D.H. Brouwer
# 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