#*********************************************************************************
#
# Crystallographic Information File for ZSM-50, as-made
#
# Reference :
# Arranz, M., Perez-Pariente, J., Wright, P.A., Slawin, A.M.Z., Blasco, T., Gomez-Hortiguela, L. and Cora, F.
# Chem. Mater., 17, 4374-4385, (2005)
#
#
# 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-50_as-made
_chemical_name_systematic 'ZSM-50, as-made'

_cell_length_a 13.726
_cell_length_b 22.171
_cell_length_c 20.254
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C m m a'
_symmetry_space_group_name_H-M 'C m m a'
_symmetry_space_group_name_Hall '-C 2b 2'
_space_group.IT_number 67

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 0.2113 0.43268 0.31343 1.66 1
Si2 Si 0.3135 0.37443 0.43591 1.76 1
Si3 Si 0.3862 0.25 0.3846 2.02 1
Si4 Si 0.3886 0.25 0.2335 2.07 1
Si5 Si 0.3103 0.37435 0.1917 1.66 1
Si6 Si 0.2129 0.43262 0.07141 1.68 1
Si7a Si 0 0.4673 0.0687 3.17 1
Si8a Si 0 0.547 0.2006 1.57 0.5
Si9a Si 0 0.4728 0.3269 1.26 0.5
Si10 Si 0 0.5463 0.4581 1.81 0.5
Si8b Si 0 0.55 0.1813 2.28 0.5
Si9b Si 0 0.4705 0.3044 2.21 0.5
Si11 Si 0 0.5745 0.4298 1.73 0.5
F1 F 0.443 0.317 0.279 4.81 0.25
O1 O 0.25 0.5 0.306 4.5 1
O2 O 0.0946 0.4312 0.3178 3 1
O3 O 0.2409 0.3941 0.2513 4.42 1
O4 O 0.2544 0.4021 0.377 5.6 1
O5 O 0.3393 0.3068 0.4204 5.05 1
O6 O 0.5 0.25 0.3968 4.97 1
O7 O 0.3595 0.25 0.3093 5.05 1
O8 O 0.3325 0.3047 0.1969 3.71 1
O9 O 0.2531 0.3849 0.1238 3 1
O10 O 0.4062 0.4134 0.1921 5.52 1
O11 O 0.25 0.5 0.0892 2.44 1
O12 O 0.25 0.3757 0.5 5.29 1
O13 O 0.4074 0.4128 0.4491 5.52 1
O14 O 0.0957 0.4287 0.0732 3.07 1
O15 O 0.5 0.25 0.2153 5.36 1
O16 O 0.25 0.4132 0 2.68 1
O17 O 0 0.5157 0.0193 3.86 0.5
O18 O 0 0.5275 0.1052 2.76 0.5
O19 O 0 0.4931 0.1511 4.34 0.5
O20 O 0 0.4914 0.23 3.94 0.5
O21 O 0 0.5261 0.2755 4.57 0.5
O22 O 0 0.5297 0.3522 2.84 0.5
O23 O 0 0.4887 0.4733 3.86 0.5
O24 O 0 0.4986 0.3997 4.02 0.5
N1 N 0 0.25 0.1878 3.07 1
C1 C 0 0.3042 0.244 1.89 0.5
C2 C 0.088 0.2788 0.1894 2.68 0.5
C3 C 0 0.301 0.125 2.68 0.5
C31 C 0 0.2765 0.312 1.73 0.5
C32 C 0.088 0.25 0.3433 4.81 1
C33 C 0.0885 0.25 0.4068 4.02 1
C34 C 0 0.25 0.439 13.4 1
C41 C 0 0.25 0.063 6.07 1
C42 C 0.0874 0.25 0.0297 3.15 1
C43 C 0.086 0.2825 -0.029 3.23 0.5
F42 F 0.159 0.25 0.056 15 0.5
# End of data for ZSM-50_as-made