#*********************************************************************************<br>
#<br>
# Crystallographic Information File for PST-22 <br>
#<br>
# Reference : <br>
#   Jo, D., Park, G.T., Shin, J. and Hong, S.B.<br>
#   Angew. Chem. Int. Ed., 57, 2199-2203, (2018)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_PST-22<br>
_chemical_name_systematic 'PST-22'<br><br>

_cell_length_a      20.5123<br>
_cell_length_b      11.6805<br>
_cell_length_c      10.9868 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    118.008 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'C 1 2/c 1'<br>
_symmetry_space_group_name_H-M   'C 1 2/c 1'<br>
_symmetry_space_group_name_Hall  '-C 2yc'<br>
_space_group.IT_number  15 <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  0.8394  0.6541  0.3679  1.02  1<br>
Si2  Si  0.7122  0.5747  0.4337  1.02  1<br>
Si3  Si  0.8269  0.5873  0.7506  1.02  1<br>
Si4  Si  0.9152  0.7506  0.6589  1.02  1<br>
Si5  Si  0.7286  0.3238  0.3671  1.02  1<br>
O1  O  0.7625  0.6297  0.3701  2.05  1<br>
O2  O  0.8602  0.5394  0.3066  2.05  1<br>
O3  O  0.9048  0.6805  0.5215  2.05  1<br>
O4  O  0.8321  0.7604  1.2682  2.05  1<br>
O5  O  0.7583  0.5757  0.6013  2.05  1<br>
O6  O  0.6383  0.6434  0.3846  2.05  1<br>
O7  O  0.6927  0.4435  0.3788  2.05  1<br>
O8  O  0.8939  0.6617  0.7522  2.05  1<br>
O9  O  0.8032  0.6514  0.854  2.05  1<br>
O10  O  0.5  0.2885  0.75  2.05  1<br>
O11  O  0.75  0.25  0.5  2.05  1<br>
Ow1  O  0.4793  0.4101  0.0857  6.3  0.927<br>
Ow2  O  0.4792  0.1955  0.1388  6.3  0.629<br>

# End of data for PST-22<br>