#*********************************************************************************
#
# Crystallographic Information File for AlPO-22, as-made
#
# Reference :
# Richardson Jr., J.W., Pluth, J.J. and Smith, J.V.
# Naturwiss., 76, 467-469, (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_AlPO-22_as-made
_chemical_name_systematic 'AlPO-22, as-made'
_cell_length_a 13.628
_cell_length_b 13.628
_cell_length_c 15.463
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 4/n c c'
_symmetry_space_group_name_H-M 'P 4/n c c'
_symmetry_space_group_name_Hall '-P 4a 2ac'
_space_group.IT_number 130
_space_group.IT_coordinate_system_code '2'
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
AL1 Al 0.136 0.864 0.25 0.63 1
AL2 Al 0.466 -0.1419 0.4284 0.843 1
P1 P 0.1354 0.8646 0.75 0.737 1
P2 P 0.6308 0.0185 0.4214 0.79 1
O1 O 0.2565 -0.1166 0.2738 1.08 1
O2 O 0.4998 -0.2584 0.4317 1.107 1
O3 O 0.4258 -0.1044 0.3241 1.37 1
O4 O 0.5794 -0.0795 0.4309 1.343 1
O5 O 0.106 -0.0629 0.162 1.5 1
O6 O 0.599 0.0912 0.4905 2.683 1
C1 C 0.25 0.25 0.739 12.633 1
C2 C 0.282 0.163 0.389 12.633 0.25
C3 C 0.274 0.339 0.389 12.633 0.25
C5 C 0.227 0.157 0.302 12.633 0.25
C6 C 0.219 0.341 0.302 12.633 0.25
C8 C 0.25 0.25 0.249 12.633 1
C9 C 0.25 0.25 0.298 12.633 1
N1 N 0.25 0.25 0.4389 12.633 1
P3 P 0.25 0.75 0 0.87 0.5
O7 O 0.164 0.787 0.936 0.71 0.5
O8 O 0.276 0.0852 0.4213 5.267 0.03
# End of data for AlPO-22_as-made