#*********************************************************************************
#
# Crystallographic Information File for PST-6, dehydrated
#
# Reference :
# Lee, J.K., Turrina, A., Zhu, L., Seo, S., Zhang, D., Cox, P.A., Wright, P.A., Qiu, S., Hong, S.B.
# Angew. Chem. Int. Ed., 53, 7480-7483, (2014)
#
#
# 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-6_dehydrated
_chemical_name_systematic 'PST-6, dehydrated'
_cell_length_a 38.2793
_cell_length_b 22.4638
_cell_length_c 8.36197
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P b a 2'
_symmetry_space_group_name_H-M 'P b a 2'
_symmetry_space_group_name_Hall 'P 2 -2ab'
_space_group.IT_number 32
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
Al1 Al 0.046 0.6134 0.1414 4.25 1
Al2 Al 0.4527 0.6164 0.6125 4.25 1
Al3 Al 0.1516 0.557 0.128 4.25 1
Al4 Al 0.3538 0.5518 0.6142 4.25 1
Al5 Al 0.987 0.6933 0.6305 4.25 1
Al6 Al 0.3831 0.6656 0.1167 4.25 1
Al7 Al 0.213 0.8564 0.6255 4.25 1
Al8 Al 0.2891 0.4807 0.1163 4.25 1
Al9 Al 0.5146 0.678 0.1275 4.25 1
Al10 Al 0.3577 0.2948 0.1236 4.25 1
Al11 Al 0.356 0.7987 0.6283 4.25 1
Al12 Al 0.5808 0.6269 0.6279 4.25 1
Al13 Al 0.2887 0.8543 0.131 4.25 1
Al14 Al 0.1146 0.6745 0.6231 4.25 1
Al15 Al 0.2161 0.488 0.6179 4.25 1
Al16 Al 0.9187 0.6377 0.1291 4.25 1
Al17 Al 0.0837 0.4991 0.6269 4.25 1
Al18 Al 0.417 0.5005 0.1126 4.25 1
P1 P 0.3502 0.547 0.2446 4.25 1
P2 P 0.0493 0.6164 0.7664 4.25 1
P3 P 0.1444 0.2924 0.2448 4.25 1
P4 P 0.4529 0.6124 0.2432 4.25 1
P5 P 0.1535 0.5616 0.7477 4.25 1
P6 P 0.3566 0.2975 0.7484 4.25 1
P7 P 0.0815 0.8751 0.2522 4.25 1
P8 P 0.0808 0.4939 0.2457 4.25 1
P9 P 0.4196 0.8693 0.7443 4.25 1
P10 P 0.5144 0.6848 0.7521 4.25 1
P11 P 0.2131 0.8481 0.2435 4.25 1
P12 P 0.215 0.4807 0.2594 4.25 1
P13 P 0.2902 0.8613 0.7517 4.25 1
P14 P 0.9868 0.7008 0.257 4.25 1
P15 P 0.4208 0.5012 0.7554 4.25 1
P16 P 0.2918 0.4871 0.7487 4.25 1
P17 P 0.1164 0.6691 0.2469 4.25 1
P18 P 0.3821 0.6708 0.7371 4.25 1
O1 O 0.1616 0.5583 0.9265 5.15 1
O2 O 0.1244 0.518 0.7066 5.15 1
O3 O 0.1439 0.6239 0.6997 5.15 1
O4 O 0.0755 0.6656 0.722 5.15 1
O5 O 0.0563 0.559 0.6671 5.15 1
O6 O 0.0704 0.4336 0.7116 5.15 1
O7 O 0.118 0.3569 0.6951 5.15 1
O8 O 0.1413 0.2925 0.4247 5.15 1
O9 O 0.2306 0.4909 0.4241 5.15 1
O10 O 0.2445 0.4932 0.1333 5.15 1
O11 O 0.3117 0.5339 0.2223 5.15 1
O12 O 0.3724 0.5109 0.1273 5.15 1
O13 O 0.4381 0.5497 0.244 5.15 1
O14 O 0.4265 0.654 0.1607 5.15 1
O15 O 0.3579 0.6131 0.2174 5.15 1
O16 O 0.4881 0.6152 0.1579 5.15 1
O17 O 0.5528 0.6715 0.2363 5.15 1
O18 O 0.5871 0.6114 0.4282 5.15 1
O19 O 0.4578 0.6323 0.4156 5.15 1
O20 O 0.4916 0.6301 0.7134 5.15 1
O21 O 0.5482 0.6797 0.6512 5.15 1
O22 O 0.5246 0.6824 0.9282 5.15 1
O23 O 0.3025 0.4806 0.9215 5.15 1
O24 O 0.2525 0.5019 0.7417 5.15 1
O25 O 0.1861 0.5419 0.6533 5.15 1
O26 O 0.181 0.8122 0.7048 5.15 1
O27 O 0.3604 0.5313 0.4168 5.15 1
O28 O 0.3113 0.5372 0.6662 5.15 1
O29 O 0.3817 0.5118 0.7348 5.15 1
O30 O 0.4406 0.5434 0.6394 5.15 1
O31 O 0.4207 0.6632 0.6943 5.15 1
O32 O 0.3613 0.6271 0.6345 5.15 1
O33 O 0.3767 0.6548 0.9138 5.15 1
O34 O 0.1841 0.8076 0.186 5.15 1
O35 O 0.297 0.8694 0.9309 5.15 1
O36 O 0.252 0.8456 0.7251 5.15 1
O37 O 0.3133 0.8117 0.6858 5.15 1
O38 O 0.3172 0.7991 0.1942 5.15 1
O39 O 0.2465 0.832 0.1546 5.15 1
O40 O 0.2182 0.8425 0.4242 5.15 1
O41 O 0.1312 0.745 0.644 5.15 1
O42 O 0.1074 0.6589 0.4233 5.15 1
O43 O 0.0837 0.6546 0.1462 5.15 1
O44 O 0.0528 0.5421 0.216 5.15 1
O45 O 0.146 0.6277 0.198 5.15 1
O46 O 0.1854 0.5231 0.2301 5.15 1
O47 O 0.0538 0.6017 0.9409 5.15 1
O48 O 0.3695 0.7334 0.7136 5.15 1
O49 O 0.3697 0.7351 0.1743 5.15 1
O50 O 0.0883 0.4901 0.424 5.15 1
O51 O 0.1141 0.5161 0.1585 5.15 1
O52 O 0.4313 0.5189 0.9241 5.15 1
O53 O 0.0096 0.6576 0.1605 5.15 1
O54 O 0.0126 0.6392 0.7248 5.15 1
O55 O 0.9967 0.6979 0.4307 5.15 1
O56 O 0.3598 0.2823 0.9233 5.15 1
O57 O 0.948 0.6837 0.2286 5.15 1
O58 O 0.6193 0.6506 0.7106 5.15 1
O59 O 0.6155 0.6469 0.177 5.15 1
O60 O 0.5687 0.5623 0.7237 5.15 1
O61 O 0.5708 0.5697 0.1611 5.15 1
O62 O 0.4244 0.8557 0.9237 5.15 1
O63 O 0.7993 0.5816 0.6627 5.15 1
O64 O 0.2972 0.412 0.2032 5.15 1
O65 O 0.7014 0.5697 0.6532 5.15 1
O66 O 0.7963 0.5834 0.244 5.15 1
O67 O 0.3724 0.2328 0.226 5.15 1
O68 O 0.5055 0.2596 0.72 5.15 1
O69 O 0.5563 0.1725 0.6508 5.15 1
O70 O 0.5711 0.0657 0.1811 5.15 1
O71 O 0.6232 0.155 0.1778 5.15 1
O72 O 0.5079 0.2617 0.1888 5.15 1
# End of data for PST-6_dehydrated