#*********************************************************************************
#
# Crystallographic Information File for PST-22
#
# Reference :
# Jo, D., Park, G.T., Shin, J. and Hong, S.B.
# Angew. Chem. Int. Ed., 57, 2199-2203, (2018)
#
#
# 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_PST-22
_chemical_name_systematic 'PST-22'

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

_space_group.name_H-M_ref 'C 1 2/c 1'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_symmetry_space_group_name_Hall '-C 2yc'
_space_group.IT_number 15

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 0.8394 0.6541 0.3679 1.02 1
Si2 Si 0.7122 0.5747 0.4337 1.02 1
Si3 Si 0.8269 0.5873 0.7506 1.02 1
Si4 Si 0.9152 0.7506 0.6589 1.02 1
Si5 Si 0.7286 0.3238 0.3671 1.02 1
O1 O 0.7625 0.6297 0.3701 2.05 1
O2 O 0.8602 0.5394 0.3066 2.05 1
O3 O 0.9048 0.6805 0.5215 2.05 1
O4 O 0.8321 0.7604 1.2682 2.05 1
O5 O 0.7583 0.5757 0.6013 2.05 1
O6 O 0.6383 0.6434 0.3846 2.05 1
O7 O 0.6927 0.4435 0.3788 2.05 1
O8 O 0.8939 0.6617 0.7522 2.05 1
O9 O 0.8032 0.6514 0.854 2.05 1
O10 O 0.5 0.2885 0.75 2.05 1
O11 O 0.75 0.25 0.5 2.05 1
Ow1 O 0.4793 0.4101 0.0857 6.3 0.927
Ow2 O 0.4792 0.1955 0.1388 6.3 0.629
# End of data for PST-22