#*********************************************************************************<br>
#<br>
# Crystallographic Information File for MAPSO-46, as-made <br>
#<br>
# Reference : <br>
#   Bennett, J.M. and Marcus, B.K.<br>
#   Stud. Surf. Sci. Catal., 37, 269-279, (1988)<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_MAPSO-46_as-made<br>
_chemical_name_systematic 'MAPSO-46, as-made'<br><br>

_cell_length_a      13.2251<br>
_cell_length_b      13.2251<br>
_cell_length_c      26.8922 <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   'P 3 c 1'<br>
_symmetry_space_group_name_H-M   'P 3 c 1'<br>
_symmetry_space_group_name_Hall  'P 3 -2"c'<br>
_space_group.IT_number  158 <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>
AL1  Al  0  0  0.06457  1.55  1<br>
AL2  Al  0.46967  0.31584  0.13168  2.55  1<br>
AL3  Al  0.19875  0.96524  0.18925  1.04  1<br>
AL4  Al  0.46726  0.11576  0.30775  1.42  1<br>
AL5  Al  0.19352  0.1729  0.36246  1.46  1<br>
AL6  Al  0.66667  0.33333  0.4395  1.39  1<br>
P1  P  0.66667  0.33333  0.06039  1.22  1<br>
P2  P  0.19862  0.18082  0.13165  1.62  1<br>
P3  P  0.46965  0.10767  0.1905  1.02  1<br>
P4  P  0.20093  0.96592  0.30722  1.73  1<br>
P5  P  0.4696  0.31962  0.36555  1.16  1<br>
P6  P  0  0  0.43771  1.6  1<br>
O12  O  0.9846  0.1174  0.5852  1.75  1<br>
O16  O  0  0  0.9957  2.49  1<br>
O21  O  0.6875  0.2336  0.0819  1.36  1<br>
O22  O  0.735  0.0649  0.116  1.02  1<br>
O231  O  0.9192  0.4727  0.1661  2.29  1<br>
O23  O  0.7826  0.2713  0.1759  1.91  1<br>
O32  O  0.1515  0.2587  0.1616  2.65  1<br>
O321  O  0.191  0.0927  0.1748  1.96  1<br>
O33  O  0.3389  0.9936  0.1796  2.58  1<br>
O34  O  0.1638  0.2199  0.7555  3.21  1<br>
O43  O  0.8976  0.5052  0.7477  1.74  1<br>
O44  O  0.3218  0.0036  0.3158  1.95  1<br>
O45  O  0.5189  0.4365  0.3483  1.15  1<br>
O451  O  0.4884  0.2442  0.3316  2.85  1<br>
O54  O  0.1405  0.2616  0.3398  1.76  1<br>
O541  O  0.1867  0.0777  0.3187  2.29  1<br>
O55  O  0.7279  0.075  0.3741  2.09  1<br>
O56  O  0.9997  0.8889  0.4222  2.66  1<br>
O61  O  0.6666  0.3333  0.0081  2.85  1<br>
O65  O  0.7979  0.4676  0.4151  2.54  1<br>
C1  C  0.2968  0.1621  0.5117  4  1<br>
C11  C  0.0527  0.3242  0.4726  4  1<br>
C21  C  0.3242  0.4316  0.9472  4  1<br>
C2  C  0.9726  0.7011  0.5117  4  1<br>
N1  N  0.3242  0.08  0.4863  4  1<br>

# End of data for MAPSO-46_as-made<br>