#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Octadecasil, as-made <br>
#<br>
# Reference : <br>
#   Caullet, P., Guth, J.L., Hazm, J., Lamblin, J.M. and Gies, H.<br>
#   Eur. J. Solid State Inorg. Chem., 28, 345-361, (1991)<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_Octadecasil_as-made<br>
_chemical_name_systematic 'Octadecasil, as-made'<br><br>

_cell_length_a      9.194<br>
_cell_length_b      9.194<br>
_cell_length_c      13.396 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'I 4/m'<br>
_symmetry_space_group_name_H-M   'I 4/m'<br>
_symmetry_space_group_name_Hall  '-I 4'<br>
_space_group.IT_number  87 <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  0.2303  0.0387  0.1137  0.61  1<br>
Si2  Si  0.5  0  0.25  0.47  1<br>
O1  O  0.3724  0.0659  0.1817  0.96  1<br>
O2  O  0.3308  0.6201  0.3583  1.27  1<br>
O3  O  0.2883  0.0502  0  1.36  1<br>
C1  C  0.05  0.14  0.5  11.91  0.151<br>
C2  C  0.13  0.06  0.41  14.5  0.184<br>
C3  C  0  0.07  0.37  3.87  0.049<br>
C4  C  0.14  0.13  0.16  6.15  0.078<br>
F  F  0  0  0  2.91  0.037<br>

# End of data for Octadecasil_as-made<br>