#*********************************************************************************<br>
#<br>
# Crystallographic Information File for ITQ-4, calcined <br>
#<br>
# Reference : <br>
#   Barrett, P.A., Camblor, M.A., Corma, A., Jones, R.H. and Villaescusa, L.A.<br>
#   Chem. Mater., 9, 1713-1715, (1997)<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-4_calcined<br>
_chemical_name_systematic 'ITQ-4, calcined'<br><br>

_cell_length_a      18.65243<br>
_cell_length_b      13.49597<br>
_cell_length_c      7.63109 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    101.9781 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'I 1 2/m 1'<br>
_symmetry_space_group_name_H-M   'I 1 2/m 1'<br>
_symmetry_space_group_name_Hall  '-I 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  -0.01265  0.11371  0.2918  1.6  1<br>
Si2  Si  0.249813  0.11336  0.6215  1.78  1<br>
Si3  Si  0.14687  0.11588  0.2469  1.38  1<br>
Si4  Si  0.16169  0.20243  -0.1058  1.84  1<br>
O5  O  0.31979  0.1794  0.6417  1.3  1<br>
O6  O  -0.0734  0.18435  0.191  1.3  1<br>
O7  O  0  0.12865  0.5  1.3  1<br>
O8  O  0.06025  0.13926  0.223  1.3  1<br>
O9  O  0.15762  0  0.2024  1.3  1<br>
O10  O  0.18823  0.1383  0.4442  1.3  1<br>
O11  O  -0.03438  0  0.2395  1.3  1<br>
O12  O  0.21031  0.13257  0.7932  1.3  1<br>
O13  O  0.27006  0  0.6233  1.3  1<br>
O14  O  0.17722  0.1788  0.0971  1.3  1<br>

# End of data for ITQ-4_calcined<br>