#*********************************************************************************<br>
#<br>
# Crystallographic Information File for AlPO-57 <br>
#<br>
# Reference : <br>
#   Broach, R.W., Greenlay, N., Jakubszak, P., Knight, L.M., Miller, S.R., Mowat, J.P.S., Stanczyk, J. and Lewis, G.J.<br>
#   Microporous Mesoporous Mat., 189, 49-63, (2014)<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_AlPO-57<br>
_chemical_name_systematic 'AlPO-57'<br><br>

_cell_length_a      13.3538<br>
_cell_length_b      13.3538<br>
_cell_length_c      25.5664 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<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  165 <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  0.4363  0.0971  0.04256  1.87  0.681<br>
Al2  Al  0.428  0.0958  0.66266  1.87  0.706<br>
Al3  Al  0.2386  0  0.25  1.87  0.768<br>
Zn1  Zn  0.4363  0.0971  0.04256  1.87  0.319<br>
Zn2  Zn  0.428  0.0958  0.66266  1.87  0.294<br>
Zn3  Zn  0.2386  0  0.25  1.87  0.232<br>
P1  P  0.4328  0.0957  0.16184  1.87  1<br>
P2  P  0.4299  0.1016  0.53896  1.87  1<br>
P3  P  0.2439  0  0.75  1.87  1<br>
O1  O  0.3419  -0.0012  0.5066  3  1<br>
O2  O  0.5838  0.1398  0.0281  3  1<br>
O3  O  0.4061  0.2097  0.027  3  1<br>
O4  O  0.3927  0.0454  0.1075  3  1<br>
O5  O  0.2179  0.1222  0.2573  3  1<br>
O6  O  0.5462  0.0744  0.681  3  1<br>
O7  O  0.4712  0.247  0.6692  3  1<br>
O8  O  0.2963  0.0046  0.6973  3  1<br>
O9  O  0.3333  0.0179  0.1969  3  1<br>
O10  O  0.3898  0.0665  0.59434  3  1<br>
N1  N  0.0698  -0.0326  0.1039  3.95  0.33333<br>
C11  C  0.0534  0.0504  0.0703  3.95  0.5<br>
C12  C  0.077  -0.132  0.0785  3.95  0.5<br>
C13  C  -0.0251  -0.0739  0.1441  3.95  0.444<br>
C14  C  0.1889  0.0149  0.1281  3.95  0.444<br>
C15  C  -0.1442  -0.093  0.1345  3.95  0.444<br>
C16  C  0.11  0.1764  0.0846  3.95  0.444<br>
N2  N  0.3242  0.6893  0.1758  3.95  0.3333<br>
C21  C  0.243  0.739  0.1751  3.95  0.5<br>
C22  C  0.4097  0.7527  0.1308  3.95  0.5<br>
C23  C  0.237  0.5613  0.1672  3.95  0.444<br>
C24  C  0.3783  0.712  0.2298  3.95  0.444<br>
C25  C  0.227  0.754  0.1173  3.95  0.444<br>
C26  C  0.189  0.54  0.112  3.95  0.444<br>

# End of data for AlPO-57<br>