#*********************************************************************************<br>
#<br>
# Crystallographic Information File for ITQ-33 <br>
#<br>
# Reference : <br>
#   Liu, L., Yu, Z.-B., Chen, H., Deng, Y., Lee, B.-L. and Sun, J.<br>
#   Crystal Growth &amp; Design, 13, 4168-4171, (2013)<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_ITQ-33<br>
_chemical_name_systematic 'ITQ-33'<br><br>

_cell_length_a      19.3095<br>
_cell_length_b      19.3095<br>
_cell_length_c      11.513 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   120<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'P 6/m m m'<br>
_symmetry_space_group_name_H-M   'P 6/m m m'<br>
_symmetry_space_group_name_Hall  '-P 6 2'<br>
_space_group.IT_number  191 <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>
Ge1  Ge  0.3733  0.4652  0.3642  4.71  0.549<br>
Si1  Si  0.3733  0.4652  0.3642  4.71  0.315<br>
Ge2  Ge  0.3333  0.6667  0.3653  2.87  0.075<br>
Si2  Si  0.3333  0.6667  0.3653  2.87  0.789<br>
Ge3  Ge  0.2822  0.7178  0  6.15  0.116<br>
Si3  Si  0.2822  0.7178  0  6.15  0.748<br>
Ge4  Ge  0.247  0.4939  0.2496  3.24  0.258<br>
Si4  Si  0.247  0.4939  0.2496  3.24  0.606<br>
O1  O  0.2906  0.4418  0.281  6.09  0.864<br>
O2  O  0.3397  0.4642  0.5  8.29  0.864<br>
O3  O  0.3882  0.3882  0.3303  7.58  0.864<br>
O7  O  0.4445  0.5555  0.311  7.26  0.864<br>
O8  O  0.2888  0.5775  0.3195  7.97  0.864<br>
O9  O  0.3333  0.6667  0.5  12.63  0.864<br>
O10  O  0.3783  0.7565  0  9  0.864<br>
O11  O  0.2542  0.7458  0.1082  10.74  0.864<br>
GeB1  Ge  0.3737  0.4657  0.1373  4.9  0.086<br>
SiB1  Si  0.3737  0.4657  0.1373  4.9  0.05<br>
GeB2  Ge  0.3333  0.6667  0.1359  3.87  0.012<br>
SiB2  Si  0.3333  0.6667  0.1359  3.87  0.124<br>
GeB3  Ge  0.285  0.57  0.5  20.53  0.018<br>
SiB3  Si  0.285  0.57  0.5  20.53  0.118<br>
GeB4  Ge  0.247  0.4939  0.2496  3.24  0.041<br>
SiB4  Si  0.247  0.4939  0.2496  3.24  0.095<br>
OB1  O  0.294  0.446  0.784  5.92  0.136<br>
OB3  O  0.394  0.394  0.801  7.58  0.136<br>
OB7  O  0.4428  0.5572  0.804  5.61  0.136<br>
OB9  O  0.3333  0.6667  0  14.21  0.136<br>
OB2  O  0.334  0.459  0  9.4  0.136<br>
OB8  O  0.287  0.574  0.825  6.4  0.136<br>
OB10  O  0.3785  0.7571  0.5  22.11  0.136<br>
OB11  O  0.249  0.498  0.607  14.45  0.136<br>

# End of data for ITQ-33<br>