#*********************************************************************************<br>
#<br>
# Crystallographic Information File for PST-30 <br>
#<br>
# Reference : <br>
#   Jo, D. and Hong, S.B.<br>
#   Angew. Chem. Int. Ed., 58, 13845-13848, (2019)<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-30<br>
_chemical_name_systematic 'PST-30'<br><br>

_cell_length_a      7.1348<br>
_cell_length_b      9.1207<br>
_cell_length_c      9.1051 <br>
_cell_angle_alpha   84.28 <br>
_cell_angle_beta    83.35 <br>
_cell_angle_gamma   87.83<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P-1'<br>
_symmetry_space_group_name_H-M   'P-1'<br>
_symmetry_space_group_name_Hall  ''<br>
_space_group.IT_number   <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  0.6502  0.3462  0.1505  1.81  1<br>
Si2  Si  0.2394  0.3913  0.0903  1.81  1<br>
Si3  Si  0.0388  0.8254  0.0153  1.81  1<br>
Si4  Si  0.0467  0.6211  0.3026  1.81  1<br>
Si5  Si  0.2894  0.5522  0.5513  1.81  1<br>
O1  O  0.7101  0.3438  0.3157  2.62  1<br>
O2  O  0.7072  0.5021  0.059  2.62  1<br>
O3  O  0.758  0.2137  0.0692  2.62  1<br>
O4  O  0.1138  0.4831  0.2098  2.62  1<br>
O5  O  0.1217  0.2551  0.0542  2.62  1<br>
O6  O  0.0338  0.7674  0.1895  2.62  1<br>
O7  O  0.1593  0.4115  0.6087  2.62  1<br>
O8  O  0.197  0.6432  0.4158  2.62  1<br>
O9  O  0.4272  0.3285  0.1584  2.62  1<br>
O10  O  0  0  0  2.62  1<br>
O11  O  0.5  0.5  0.5  2.62  1<br>
Ow1  O  0.4763  0.9257  0.2286  6.3  0.572<br>
Ow2  O  0.0894  0.0481  0.4235  6.3  0.416<br>
Ow3  O  0.3467  0.001  0.5332  6.3  0.554<br>

# End of data for PST-30<br>