#*********************************************************************************
#
# Crystallographic Information File for PST-21
#
# 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-21
_chemical_name_systematic 'PST-21'
_cell_length_a 9.1017
_cell_length_b 11.7322
_cell_length_c 10.9595
_cell_angle_alpha 90
_cell_angle_beta 93.2282
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 1 21/c 1'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_space_group.IT_number 14
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 0.1615 0.403 0.2228 2.14 1
Si2 Si 0.0853 0.8288 0.4682 2.14 1
Si3 Si 0.1441 0.1651 0.3245 2.14 1
Si4 Si 0.3236 0.4872 0.0038 2.14 1
Si5 Si 0.0459 0.582 0.391 2.14 1
O1 O 0.1576 0.5164 0.3057 2.9 1
O2 O 0.0041 0.3849 0.1487 2.9 1
O3 O 0.2007 0.2949 0.3105 2.9 1
O4 O 0.2891 0.4203 0.1277 2.9 1
O5 O 0.7571 0.3905 0.005 2.9 1
O6 O 0.0037 0.1604 0.4084 2.9 1
O7 O 0.1247 0.6969 0.4428 2.9 1
O8 O 0.2758 0.0878 0.3845 2.9 1
O9 O 0.102 0.1136 0.1902 2.9 1
O10 O 0.5 0 0.5 2.9 1
O11 O 0 0 0 2.9 1
Ow1 O 0.515 0.179 0.1657 4.66 0.421
Ow2 O 0.7637 0.2554 0.3149 4.66 0.388
Ow3 O 0.435 1.0352 0.0689 4.66 0.411
Ow4 O 0.4428 0.8559 0.1602 4.66 0.5
# End of data for PST-21