#*********************************************************************************
#
# 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, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://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