#*********************************************************************************<br>
#<br>
# Crystallographic Information File for CIT-5 <br>
#<br>
# Reference : <br>
#   Wagner, P., Yoshikawa, M., Lovallo, M., Tsuji, K., Taspatsis, M. and Davis, M.E.<br>
#   Chem. Commun., , 2179-2180, (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_CIT-5<br>
_chemical_name_systematic 'CIT-5'<br><br>

_cell_length_a      13.695<br>
_cell_length_b      5.021<br>
_cell_length_c      25.497 <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 m m a'<br>
_symmetry_space_group_name_H-M   'I m m a'<br>
_symmetry_space_group_name_Hall  '-I 2b 2'<br>
_space_group.IT_number  74 <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  0.116  0.25  0.0317  3.32  1<br>
Si2  Si  0  0.75  0.2788  6.47  1<br>
Si3  Si  0.282  0.75  0.1887  3.95  1<br>
Si4  Si  0  0.25  0.2177  1.58  1<br>
Si5  Si  0.1936  0.25  0.1479  3.24  1<br>
O1  O  0  0.25  0.0512  3.87  1<br>
O2  O  0.0853  0.25  0.1737  1.18  1<br>
O3  O  0  0.5776  0.2309  8.69  1<br>
O4  O  0.1303  0  0  42.56  1<br>
O5  O  0.1896  0.25  0.0909  4.74  1<br>
O6  O  0.25  0.75  0.25  6.79  1<br>
O7  O  0.0913  0.75  0.3099  3.71  1<br>
O8  O  0.264  0.4474  0.1665  5.53  1<br>

# End of data for CIT-5<br>