#*********************************************************************************<br>
#<br>
# Crystallographic Information File for AlPO-5, as-made <br>
#<br>
# Reference : <br>
#   Qiu, S., Pang, W., Kessler, H. and Guth, J.L.<br>
#   Zeolites, 9, 440-444, (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_AlPO-5_as-made<br>
_chemical_name_systematic 'AlPO-5, as-made'<br><br>

_cell_length_a      13.74<br>
_cell_length_b      13.74<br>
_cell_length_c      8.474 <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 6 c c'<br>
_symmetry_space_group_name_H-M   'P 6 c c'<br>
_symmetry_space_group_name_Hall  'P 6 -2c'<br>
_space_group.IT_number  184 <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>
P1  P  0.4529  0.3281  0.053  2.25  1<br>
AL1  Al  0.4571  0.3382  0.425  1.89  1<br>
O1  O  0.4214  0.209  0.008  4.18  1<br>
O2  O  0.455  0.3299  0.251  5.33  1<br>
O3  O  0.3658  0.3597  0.004  4.11  1<br>
O4  O  0.5742  0.4175  0.007  5.03  1<br>
C1  C  0.104  0.041  0.666  3.95  0.1667<br>
C2  C  0.125  0.979  0.75  3.95  0.1667<br>
C3  C  0.104  0.979  0.416  3.95  0.1667<br>
C4  C  0  0.895  0.5  3.95  0.1667<br>
C5  C  0.041  0.895  0.359  3.95  0.1667<br>
C6  C  0.082  0.957  0.221  3.95  0.1667<br>
N1  N  0  0  0.543  3.95  0.5<br>
F1  F  0.5  0.5  0.317  3.95  0.1667<br>

# End of data for AlPO-5_as-made<br>