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

_cell_length_a      9.3834<br>
_cell_length_b      9.3834<br>
_cell_length_c      9.3834 <br>
_cell_angle_alpha   94.085 <br>
_cell_angle_beta    94.085 <br>
_cell_angle_gamma   94.085<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'R -3'<br>
_symmetry_space_group_name_H-M   'R -3'<br>
_symmetry_space_group_name_Hall  '-P 3*'<br>
_space_group.IT_number  148 <br>
_space_group.IT_coordinate_system_code  'R'<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>
AL  Al  0.09888  0.33196  0.8751  1.2  0.912<br>
P1  P  0.33245  0.10847  0.87466  1.176  0.895<br>
O1  O  0.258  -0.2704  -0.0127  2.763  1<br>
O2  O  0.1519  -0.1445  0.4911  2.424  1<br>
O3  O  0.2542  0.246  0.8876  2.779  1<br>
O4  O  0.0291  0.0104  0.3178  3.008  1<br>
C1  C  -0.132  0.524  0.5  17.92  0.344<br>
C2  C  0.112  0.492  0.44  31.9  0.344<br>
C3  C  0.189  0.353  0.424  31.9  0.344<br>
C4  C  0.334  0.382  0.359  31.9  0.344<br>
C5  C  0.449  0.303  0.439  31.9  0.344<br>
N1  N  0.009  0.48  0.551  17.92  0.344<br>

# End of data for SAPO-47_as-made<br>