#*********************************************************************************
#
# Crystallographic Information File for CIT-5 
#
# Reference : 
#   Wagner, P., Yoshikawa, M., Lovallo, M., Tsuji, K., Taspatsis, M. and Davis, M.E.
#   Chem. Commun., , 2179-2180, (1997)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_CIT-5
_chemical_name_systematic 'CIT-5'

_cell_length_a      13.695
_cell_length_b      5.021
_cell_length_c      25.497 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'I m m a'
_symmetry_space_group_name_H-M   'I m m a'
_symmetry_space_group_name_Hall  '-I 2b 2'
_space_group.IT_number  74 

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si1  Si  0.116  0.25  0.0317  3.32  1
Si2  Si  0  0.75  0.2788  6.47  1
Si3  Si  0.282  0.75  0.1887  3.95  1
Si4  Si  0  0.25  0.2177  1.58  1
Si5  Si  0.1936  0.25  0.1479  3.24  1
O1  O  0  0.25  0.0512  3.87  1
O2  O  0.0853  0.25  0.1737  1.18  1
O3  O  0  0.5776  0.2309  8.69  1
O4  O  0.1303  0  0  42.56  1
O5  O  0.1896  0.25  0.0909  4.74  1
O6  O  0.25  0.75  0.25  6.79  1
O7  O  0.0913  0.75  0.3099  3.71  1
O8  O  0.264  0.4474  0.1665  5.53  1

# End of data for CIT-5