#*********************************************************************************
#
# Crystallographic Information File for ZSM-25
#
# Reference :
# Guo, P., Shin, J., Greenaway, A.G., Min, J.G., Su, J., Choi, H.J., Liu, L., Cox, P.A.., Hong, S.B., Wright, P.A. and Zou, X.D.
# Nature, 524, 74-78, (2015)
#
#
# 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_ZSM-25
_chemical_name_systematic 'ZSM-25'

_cell_length_a 45.0711
_cell_length_b 45.0711
_cell_length_c 45.0711
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I m -3 m'
_symmetry_space_group_name_H-M 'I m -3 m'
_symmetry_space_group_name_Hall '-I 4 2 3'
_space_group.IT_number 229

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 0.85473 0.58416 0.535 0.8 0.7681
Al1 Al 0.85473 0.58416 0.535 0.8 0.2319
Si2 Si 0.81152 0.63655 0.53462 0.8 0.7681
Al2 Al 0.81152 0.63655 0.53462 0.8 0.2319
Si3 Si 0.74251 0.64083 0.53401 0.8 0.7681
Al3 Al 0.74251 0.64083 0.53401 0.8 0.2319
Si4 Si 0.70006 0.58437 0.53449 0.8 0.7681
Al4 Al 0.70006 0.58437 0.53449 0.8 0.2319
Si5 Si 0.63219 0.58364 0.53323 0.8 0.7681
Al5 Al 0.63219 0.58364 0.53323 0.8 0.2319
Si6 Si 0.57809 0.08179 0.03486 0.8 0.7681
Al6 Al 0.57809 0.08179 0.03486 0.8 0.2319
Si7 Si 0.53546 0.13894 0.03409 0.8 0.7681
Al7 Al 0.53546 0.13894 0.03409 0.8 0.2319
Si8 Si 0.69524 0.64616 0.81322 0.8 0.7681
Al8 Al 0.69524 0.64616 0.81322 0.8 0.2319
Si9 Si 0.74404 0.57779 0.69562 0.8 0.7681
Al9 Al 0.74404 0.57779 0.69562 0.8 0.2319
Si10 Si 0.69512 0.64538 0.74596 0.8 0.7681
Al10 Al 0.69512 0.64538 0.74596 0.8 0.2319
Si11 Si 0.69422 0.81421 0.57733 0.8 0.7681
Al11 Al 0.69422 0.81421 0.57733 0.8 0.2319
Si12 Si 0.96522 0.69701 0.6472 0.8 0.7681
Al12 Al 0.96522 0.69701 0.6472 0.8 0.2319
Si13 Si 0.92287 0.80525 0.53349 0.8 0.7681
Al13 Al 0.92287 0.80525 0.53349 0.8 0.2319
Si14 Si 0.92226 0.35327 0.75003 0.8 0.7681
Al14 Al 0.92226 0.35327 0.75003 0.8 0.2319
Si15 Si 0.75 0.35296 0.14704 0.8 0.7681
Al15 Al 0.75 0.35296 0.14704 0.8 0.2319
Si16 Si 0.25 0.92261 0.57739 0.8 0.7681
Al16 Al 0.25 0.92261 0.57739 0.8 0.2319
O1 O 0.83179 0.60929 0.54794 1.2 1
O2 O 0.77609 0.62815 0.5395 1.2 1
O3 O 0.71934 0.61451 0.54237 1.2 1
O4 O 0.66549 0.59549 0.5388 1.2 1
O5 O 0.11106 0.59214 0.5433 1.2 1
O6 O 0.55625 0.11056 0.0429 1.2 1
O7 O 0.6858 0.61204 0.8218 1.2 1
O8 O 0.70929 0.77985 0.6485 1.2 1
O9 O 0.7368 0.68556 0.61146 1.2 1
O11 O 0.77898 0.5733 0.7052 1.2 1
O13 O 0.33387 0.55464 0.18102 1.2 1
O14 O 0.33137 0.55522 0.2649 1.2 1
O16 O 0.93445 0.77883 0.66489 1.2 1
O17 O 0.94296 0.83357 0.45496 1.2 1
O19 O 0.77808 0.93212 0.444 1.2 1
O20 O 0.77865 0.66593 0.83943 1.2 1
O21 O 0.74041 0.11231 0.34685 1.2 1
O22 O 0.61212 0.07139 0.24207 1.2 1
O23 O 0.88782 0.5383 0.18643 1.2 1
O26 O 0.34126 0.27822 0.05817 1.2 1
O15 O 0.8193 0.358 0.5 1.2 1
O18 O 0.9309 0.7949 0.5 1.2 1
O35 O 0.5725 0.0716 0 1.2 1
O36 O 0.5447 0.1506 0 1.2 1
O38 O 0.8492 0.5759 0.5 1.2 1
O39 O 0.7351 0.6531 0.5 1.2 1
O40 O 0.7055 0.5736 0.5 1.2 1
O10 O 0.6241 0.5723 0.5 1.2 1
O24 O 0.8469 0.5 0.2076 1.2 1
O31 O 0.5665 0.0531 0.0531 1.2 1
O32 O 0.8462 0.55406 0.55406 1.2 1
O33 O 0.7089 0.55735 0.55735 1.2 1
O25 O 0.33324 0.33324 0.0419 1.2 1
O27 O 0.66651 0.66651 0.8206 1.2 1
O28 O 0.7233 0.7233 0.5669 1.2 1
O29 O 0.6113 0.6113 0.5434 1.2 1
O30 O 0.7219 0.6552 0.7219 1.2 1
O34 O 0.625 0.55663 0.55663 1.2 1
O12 O 0.75 0.66314 0.66314 1.2 1
O37 O 0.5 0.13125 0.0396 1.2 1
N1 N 0.14761 0.14761 0.14761 10 0.36
C1 C 0.12801 0.12801 0.12801 10 0.36
C2 C 0.13747 0.1049 0.1049 10 0.12
C3 C 0.16653 0.12816 0.16653 10 0.36
C4 C 0.17529 0.09584 0.17529 10 0.36
N2 N 0.12633 0.12633 0.12633 10 0.498
C5 C 0.14592 0.14592 0.14592 10 0.498
C6 C 0.13648 0.16917 0.16917 10 0.1661
C7 C 0.10749 0.14592 0.10749 10 0.498
C8 C 0.09866 0.17823 0.09866 10 0.498
N3 N 0.7553 0.7553 0.7553 10 0.4031
C9 C 0.7124 0.7124 0.74668 10 0.1344
C10 C 0.73585 0.77412 0.77412 10 0.4031
C11 C 0.70354 0.78297 0.78297 10 0.4031
C12 C 0.73571 0.73571 0.73571 10 0.4031
N4 N 0 0.27798 0 10 1
C13 C 0 0.25821 -0.02734 10 0.5
C14 C 0 0.27481 -0.05742 10 0.5
C15 C -0.02874 0.29767 0 10 0.5
C16 C -0.05882 0.28103 0 10 0.5
N5 N 0 0.5 0 10 1
C17 C 0 0.48023 -0.02734 10 0.25
C18 C 0 0.49683 -0.05742 10 0.25
C19 C 0 0.48024 0.02859 10 0.25
C20 C 0 0.49682 0.05869 10 0.25
Na1 Na 0 0.8541 0 9.8 0.9617
Ow1 O 0 0.8541 0 9.8 0.039
Na2 Na 0 0.7898 0 9.8 0.0423
Ow2 O 0 0.7898 0 9.8 0.898
Na3 Na 0.63 0 0 9.8 0.8106
Ow3 O 0.63 0 0 9.8 0.192
Na4 Na 0.433 0 0 9.8 0.2005
Ow4 O 0.433 0 0 9.8 0.571
Na5 Na 0.6104 0.6104 0.2648 9.8 1
Ow5 O 0.0963 0.6912 0.0963 9.8 1
Ow6 O 0.7222 0.0563 0.0563 9.8 1
Ow7 O 0.1195 0.658 0.1195 9.8 1
Na6 Na 0.38979 0.61021 0.03286 9.8 0.5
Ow8 O 0.38979 0.61021 0.03286 9.8 0.5
Ow9 O 0.05701 0.5 0.94299 9.8 1
Na10 Na 0.6959 0.8999 0.6959 9.8 0.373
Ow10 O 0.6959 0.8999 0.6959 9.8 0.63
Na11 Na 0.2298 0.6529 0.7702 9.8 0.627
Ow11 O 0.5 0.2702 0.2702 9.8 1
Na13 Na 0.34286 0.5433 0.65714 9.8 0.5
Ow13 O 0.34286 0.5433 0.65714 9.8 0.5
Na7 Na 0.89601 0.53356 0.3115 9.8 0.25
Ow16 O 0.89601 0.53356 0.3115 9.8 0.75
Na8 Na 0.5 0.0571 0.2742 9.8 1
Na9 Na 0.2738 0.5 0.8191 9.8 1
Na12 Na 0.0814 0.9186 0.9186 9.8 0.515
Ow12 O 0.3891 0.6109 0.6109 9.8 0.142
Ow14 O 0.8364 0.8364 0.8364 9.8 0.142
Ow15 O 0.7812 0.7812 0.7812 9.8 0.1938
Ow17 O 0.9114 0 0 9.8 1
Ow18 O 0.125 0.5819 0.875 9.8 1
Ow19 O 0.9706 0.0493 0.0493 9.8 0.861
Ow20 O 0.4889 0.8863 0.6637 9.8 0.866
Ow21 O 0.2799 0.738 0.0374 9.8 1
Ow22 O 0.2763 0.5 0 9.8 1
Ow23 O 0.1017 0.3872 0.8443 9.8 1
Ow24 O 0.13599 0.8003 0.86401 9.8 0.862
# End of data for ZSM-25