#*********************************************************************************<br>
#<br>
# Crystallographic Information File for NU-3, as-made <br>
#<br>
# Reference : <br>
#   McCusker, L.B.<br>
#   Mater. Sci. Forum, 133-136, 423-433, (1993)<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_NU-3_as-made<br>
_chemical_name_systematic 'NU-3, as-made'<br><br>

_cell_length_a      13.2251<br>
_cell_length_b      13.2251<br>
_cell_length_c      22.2916 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   120<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'R -3 m'<br>
_symmetry_space_group_name_H-M   'R -3 m'<br>
_symmetry_space_group_name_Hall  '-R 3 2"'<br>
_space_group.IT_number  166 <br>
_space_group.IT_coordinate_system_code  'H'<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  0.2327  0.0006  0.0694  0.95  1<br>
SI2  Si  0.33333  -0.0943  0.16667  0.95  1<br>
O1  O  0.2641  0  0  1.18  1<br>
O2  O  0.0956  -0.0956  0.0795  1.82  1<br>
O3  O  0.2492  0.1246  0.089  1.26  1<br>
O4  O  0.446  -0.108  0.1544  1.11  1<br>
O5  O  0.3121  -0.034  0.1078  1.03  1<br>
C1  C  0  0  0.219  5.37  1<br>
C2  C  0.0635  0.127  0.2449  5.37  1<br>
C3  C  0.0651  0.1302  0.313  5.37  1<br>
C4  C  0.1248  0.0624  0.3386  5.37  1<br>
N1  N  0.1254  0.2508  0.332  5.37  0.333<br>

# End of data for NU-3_as-made<br>