#*********************************************************************************
#
# Crystallographic Information File for SAPO-47, as-made
#
# Reference :
# Pluth, J.J. and Smith, J.V.
# J. Phys. Chem., 93, 6516-6520, (1989)
#
#
# 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_SAPO-47_as-made
_chemical_name_systematic 'SAPO-47, as-made'

_cell_length_a 9.3834
_cell_length_b 9.3834
_cell_length_c 9.3834
_cell_angle_alpha 94.085
_cell_angle_beta 94.085
_cell_angle_gamma 94.085
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'R -3'
_symmetry_space_group_name_H-M 'R -3'
_symmetry_space_group_name_Hall '-P 3*'
_space_group.IT_number 148
_space_group.IT_coordinate_system_code 'R'

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
AL Al 0.09888 0.33196 0.8751 1.2 0.912
P1 P 0.33245 0.10847 0.87466 1.176 0.895
O1 O 0.258 -0.2704 -0.0127 2.763 1
O2 O 0.1519 -0.1445 0.4911 2.424 1
O3 O 0.2542 0.246 0.8876 2.779 1
O4 O 0.0291 0.0104 0.3178 3.008 1
C1 C -0.132 0.524 0.5 17.92 0.344
C2 C 0.112 0.492 0.44 31.9 0.344
C3 C 0.189 0.353 0.424 31.9 0.344
C4 C 0.334 0.382 0.359 31.9 0.344
C5 C 0.449 0.303 0.439 31.9 0.344
N1 N 0.009 0.48 0.551 17.92 0.344
# End of data for SAPO-47_as-made