#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Nonasil, as-made <br>
#<br>
# Reference : <br>
#   Marler, B., Dehnbostel, N., Eulert, H.-H., Gies, H. and Liebau, F.<br>
#   J. Incl. Phenom., 4, 339-349, (1986)<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_Nonasil_as-made<br>
_chemical_name_systematic 'Nonasil, as-made'<br><br>

_cell_length_a      22.232<br>
_cell_length_b      15.058<br>
_cell_length_c      13.627 <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   'F m m m'<br>
_symmetry_space_group_name_H-M   'F m m m'<br>
_symmetry_space_group_name_Hall  '-F 2 2'<br>
_space_group.IT_number  69 <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  0.3745  0.1635  0.3103  1.66  1<br>
SI2  Si  0.2798  0.5  0.5  2.05  1<br>
SI3  Si  0.295  0.327  0  2.84  1<br>
SI4  Si  0.5  0.1051  0.6156  0.32  1<br>
SI5  Si  0.3173  0.5  0.2831  2.29  1<br>
O1  O  0.3356  0.3282  0.9056  5.13  1<br>
O2  O  0.4427  0.1462  0.3374  1.97  1<br>
O3  O  0.352  0.405  0.2525  10.11  1<br>
O4  O  0.2702  0.4329  0  12.79  1<br>
O5  O  0.3197  0.5  0.5937  3.4  1<br>
O6  O  0.3667  0.25  0.25  17.13  1<br>
O7  O  0  0  0.1392  2.05  1<br>
O8  O  0.5  0.1155  0.5  0.39  1<br>
O9  O  0.25  0  0.25  1.82  1<br>
O10  O  0.25  0.25  0  9.95  1<br>
C1  C  0.5  0.4489  0.57  19.11  1<br>
C2  C  0.4659  0.3547  0.5  10.11  1<br>
C3  C  0  0  0.5  32.37  1<br>

# End of data for Nonasil_as-made<br>