#*********************************************************************************
#
# Crystallographic Information File for CIT-1
#
# Reference :
# Lobo, R.F. and Davis, M.E.
# J. Am. Chem. Soc., 117, 3766-3779, (1995)
#
#
# 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-1
_chemical_name_systematic 'CIT-1'
_cell_length_a 22.6242
_cell_length_b 13.3503
_cell_length_c 12.3642
_cell_angle_alpha 90
_cell_angle_beta 68.913
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12
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 0.0677 0.1102 0.4914 1.48 1
Si2 Si 0.1567 0.1889 0.251 1.48 1
Si3 Si 0.0734 0.1204 0.739 1.48 1
Si4 Si 0.2879 0.1171 0.1026 1.48 1
Si5 Si 0.277 0.1141 0.8607 1.48 1
Si6 Si 0.0738 0.1195 0.1043 1.48 1
Si7 Si 0.148 0.1898 0.8835 1.48 1
O8 O 0.0763 0 0.4256 1.42 1
O9 O 0.0784 0.138 0.6085 1.42 1
O10 O 0.1205 0.1669 0.3814 1.42 1
O11 O 0 0.1458 0.5 1.42 1
O12 O 0.2185 0.12 0.2009 1.42 1
O13 O 0.1097 0.1569 0.186 1.42 1
O14 O 0.1728 0.3005 0.2109 1.42 1
O15 O 0.0852 0 0.7309 1.42 1
O16 O 0.0003 0.1379 0.8223 1.42 1
O17 O 0.1271 0.1859 0.7717 1.42 1
O18 O 0.3045 0 0.1272 1.42 1
O19 O 0.2721 0.133 0.9904 1.42 1
O20 O 0.3442 0.1888 0.0983 1.42 1
O21 O 0.2102 0.1217 0.8382 1.42 1
O22 O 0.3046 0 0.8219 1.42 1
O23 O 0.0873 0 0.1087 1.42 1
O24 O 0.0837 0.1783 0.99 1.42 1
# End of data for CIT-1