#*********************************************************************************
#
# Crystallographic Information File for LEU-2 
#
# Reference :
#   Bae, J., Plessers, D., Ivanushkin, G., Bugaev, A., McCusker, L.B. and Dusselier, M.
#   Adv. Mater., 2504932, , (2025)
#
# 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_LEU-2
_chemical_name_systematic 'LEU-2'

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


_space_group.name_H-M_ref   'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_space_group.IT_number  13 

 
 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  0.2036  0.479  0.1092  1  1
Si2  Si  0.3351  0.986  0.2125  1  1
Si3  Si  0.1548  0.961  0.3251  1  1
Si4  Si  0.124  0.443  0.4174  1  1
O1  O  0.2019  0.466  0.0141  2  1
O2  O  0.0458  0.418  0.1073  2  1
O3  O  0.2461  0.768  0.146  2  1
O4  O  0.3168  0.268  0.1669  2  1
 O5  O  0  1.025  0.25  2  1
O6  O  0.5  0.902  0.25  2  1
O7  O  0.2801  1  0.2894  2  1
O8  O  0.1833  0.16  0.4039  2  1
O9  O  0.157  0.659  0.3575  2  1
O20  O  0.5  0.5  0.5  2  0.44

# End of data for LEU-2