#*********************************************************************************<br>
#<br>
# Crystallographic Information File for Dodecasil 3C <br>
#<br>
# Reference : <br>
#   Gies, H.<br>
#   Z. Kristallogr., 167, 73-82, (1984)<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_Dodecasil_3C<br>
_chemical_name_systematic 'Dodecasil 3C'<br><br>

_cell_length_a      19.402<br>
_cell_length_b      19.402<br>
_cell_length_c      19.402 <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   'F d -3'<br>
_symmetry_space_group_name_H-M   'F d -3'<br>
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'<br>
_space_group.IT_number  203 <br>
_space_group.IT_coordinate_system_code  '2'<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  0.0676  0.0676  0.37  2.04  1<br>
SI2  Si  0.2164  0.2164  0.2164  1.53  1<br>
SI3  Si  0.125  0.125  0.125  1.42  1<br>
O1  O  0.0932  0.4065  -0.0001  4.97  1<br>
O2  O  0.0433  0.2995  0.4505  6.24  1<br>
O3  O  0.125  0.3734  0.125  4.29  1<br>
O4  O  0.1704  0.1704  0.1704  9.32  1<br>
N1  N  0  0  0  20  1<br>
N2  N  0.625  0.625  0.625  20  1<br>

# End of data for Dodecasil_3C<br>