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

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

_space_group.name_H-M_ref 'R -3 m'
_symmetry_space_group_name_H-M 'R -3 m'
_symmetry_space_group_name_Hall '-R 3 2"'
_space_group.IT_number 166
_space_group.IT_coordinate_system_code 'H'

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 0.2327 0.0006 0.0694 0.95 1
SI2 Si 0.33333 -0.0943 0.16667 0.95 1
O1 O 0.2641 0 0 1.18 1
O2 O 0.0956 -0.0956 0.0795 1.82 1
O3 O 0.2492 0.1246 0.089 1.26 1
O4 O 0.446 -0.108 0.1544 1.11 1
O5 O 0.3121 -0.034 0.1078 1.03 1
C1 C 0 0 0.219 5.37 1
C2 C 0.0635 0.127 0.2449 5.37 1
C3 C 0.0651 0.1302 0.313 5.37 1
C4 C 0.1248 0.0624 0.3386 5.37 1
N1 N 0.1254 0.2508 0.332 5.37 0.333
# End of data for NU-3_as-made