#*********************************************************************************<br>
#<br>
# Crystallographic Information File for LEU-2 <br>
#<br>
# Reference : <br>
#   Bae, J., Plessers, D., Ivanushkin, G., Bugaev, A., McCusker, L.B. and Dusselier, M.<br>
#   Adv. Mater., 2504932, , (2025)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_LEU-2<br>
_chemical_name_systematic 'LEU-2'<br><br>

_cell_length_a      10.022<br>
_cell_length_b      5.0371<br>
_cell_length_c      16.985 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    111.509 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P 1 2/c 1'<br>
_symmetry_space_group_name_H-M   'P 1 2/c 1'<br>
_symmetry_space_group_name_Hall  '-P 2yc'<br>
_space_group.IT_number  13 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
Si1  Si  0.2036  0.479  0.1092  1  1<br>
Si2  Si  0.3351  0.986  0.2125  1  1<br>
Si3  Si  0.1548  0.961  0.3251  1  1<br>
Si4  Si  0.124  0.443  0.4174  1  1<br>
O1  O  0.2019  0.466  0.0141  2  1<br>
O2  O  0.0458  0.418  0.1073  2  1<br>
O3  O  0.2461  0.768  0.146  2  1<br>
O4  O  0.3168  0.268  0.1669  2  1<br>
 O5  O  0  1.025  0.25  2  1<br>
O6  O  0.5  0.902  0.25  2  1<br>
O7  O  0.2801  1  0.2894  2  1<br>
O8  O  0.1833  0.16  0.4039  2  1<br>
O9  O  0.157  0.659  0.3575  2  1<br>
O20  O  0.5  0.5  0.5  2  0.44<br>

# End of data for LEU-2<br>