#*********************************************************************************<br>
#<br>
# Crystallographic Information File for ITQ-12, calcined <br>
#<br>
# Reference : <br>
#   Yang, X.B., Camblor, M.A., Lee, Y., Liu, H.M. and Olson, D.H.<br>
#   J. Am. Chem. Soc., 126, 10403-10409, (2004)<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-12_calcined<br>
_chemical_name_systematic 'ITQ-12, calcined'<br><br>

_cell_length_a      10.3359<br>
_cell_length_b      15.0175<br>
_cell_length_c      8.8638 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    105.35 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'C 1 2/m 1'<br>
_symmetry_space_group_name_H-M   'C 1 2/m 1'<br>
_symmetry_space_group_name_Hall  '-C 2y'<br>
_space_group.IT_number  12 <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  0.6486  0.2442  0.1082  0.726  1<br>
Si2  Si  0.6957  0.3997  0.6684  0.726  1<br>
Si3  Si  0.6  0.39893  0.3085  0.726  1<br>
O4  O  0.5  0.221  0  1.11  1<br>
O5  O  0.8072  0.3381  0.7758  1.11  1<br>
O6  O  0.6205  0.5  0.2672  1.11  1<br>
O7  O  0.6569  0.3365  0.1964  1.11  1<br>
O8  O  0.4417  0.3801  0.2808  1.11  1<br>
O9  O  0.6797  0.3767  0.4863  1.11  1<br>
O10  O  0.75  0.25  0  1.11  1<br>
O11  O  0.7394  0.5  0.7134  1.11  1<br>

# End of data for ITQ-12_calcined<br>