#*********************************************************************************
#
# Crystallographic Information File for AlPO-16, as-made
#
# Reference :
# Bennett, J.M. and Kirchner, R.M.
# Zeolites, 11, 502-506, (1991)
#
#
# 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-16_as-made_
_chemical_name_systematic 'AlPO-16, as-made '

_cell_length_a 13.3832
_cell_length_b 13.3832
_cell_length_c 13.3832
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'F 2 3'
_symmetry_space_group_name_H-M 'F 2 3'
_symmetry_space_group_name_Hall 'F 2 2 3'
_space_group.IT_number 196

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 0.1186 0.1186 0.1186 6.4 1
P1 P -0.1116 0.1116 0.1116 5.2 1
P2 P 0.25 0.25 0.25 4.4 1
AL2 Al -0.25 0.25 0.25 2.5 1
O1 O -0.0078 0.1285 0.1495 3 1
O2 O 0.1915 0.1915 0.1915 5 1
O3 O -0.1704 0.1704 0.1704 8 1
N1 N 0.056 0.4329 0.0424 6 0.0833
C1 C 0.0056 0.3916 -0.0462 6 0.0833
C2 C -0.0601 0.468 -0.0973 6 0.0833
C3 C 0.1159 0.5193 0.0103 6 0.0833
C4 C 0.0529 0.5988 -0.0393 6 0.0833
C5 C -0.0214 0.4689 0.1118 6 0.0833
C6 C -0.0878 0.5472 0.0646 6 0.0833
C7 C -0.0552 0.5662 -0.0418 6 0.0833
H11 H 0.0566 0.3668 -0.0939 7 0.0833
H12 H -0.0351 0.3331 -0.0261 7 0.0833
H21 H -0.0382 0.4774 -0.1673 7 0.0833
H22 H -0.13 0.4437 -0.0995 7 0.0833
H31 H 0.1506 0.5481 0.0691 7 0.0833
H32 H 0.1686 0.4965 -0.0364 7 0.0833
H41 H 0.0592 0.6627 -0.0025 7 0.0833
H42 H 0.0772 0.611 -0.1081 7 0.0833
H51 H -0.0626 0.4116 0.1344 7 0.0833
H52 H 0.0122 0.497 0.1722 7 0.0833
H61 H -0.1583 0.5246 0.0658 7 0.0833
H62 H -0.0845 0.6099 0.1036 7 0.0833
H7 H -0.0978 0.6173 -0.0741 7 0.0833
# End of data for AlPO-16_as-made_