#*********************************************************************************
#
# Crystallographic Information File for AlPO-21
#
# Reference :
# Bennett, J.M., Cohen, J.M., Artioli, G., Pluth, J.J. and Smith, J.V.
# Inorg. Chem., 24, 188-193, (1985)
#
#
# 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-21
_chemical_name_systematic 'AlPO-21'
_cell_length_a 10.3307
_cell_length_b 17.5241
_cell_length_c 8.6757
_cell_angle_alpha 90
_cell_angle_beta 123.369
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 1 21/a 1'
_symmetry_space_group_name_H-M 'P 1 21/a 1'
_symmetry_space_group_name_Hall '-P 2yab'
_space_group.IT_number 14
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
P1 P 0.1335 0.0708 0.9738 0.58 1
P2 P 0.0269 0.2112 0.3235 0.7 1
P3 P 0.4967 0.1646 0.7462 0.65 1
Al1 Al 0.3082 0.1714 0.3192 0.76 1
Al2 Al 0.3372 0.3892 0.9739 0.61 1
Al3 Al 0.2057 0.2037 0.7707 0.63 1
O1 O 0.3375 0.4885 0.0519 0.84 1
O2 O 0.2331 0.0912 0.1807 1.16 1
O3 O 0.421 0.2188 0.258 1.12 1
O4 O 0.0904 0.1947 0.5237 1.29 1
O5 O 0.0484 0.2523 0.7775 0.94 1
O6 O 0.4254 0.1411 0.5439 1.46 1
O7 O 0.4636 0.4153 0.9012 0.85 1
O8 O 0.1819 0.1203 0.8696 1.08 1
O9 O 0.3221 0.2905 0.8647 1.08 1
O10 O 0.3759 0.1525 0.7924 1.01 1
O11 O 0.1316 0.3898 0.8632 0.99 1
O12 O 0.1589 0.2283 0.2955 1.33 1
O13 O 0.4353 0.3575 0.2081 1.12 1
N1 N 0.2155 0.4898 0.2852 3.06 0.71
C1 C 0.3305 0.4857 0.4786 12.7 1.425
C2 C 0.0868 0.4358 0.2039 7.39 1.295
C3 C 0.177 0.4828 0.362 0 0.22
C4 C 0.125 0.4639 0.477 7.11 0.412
H1 H 0.381 0.286 0.854 2.02 1
# End of data for AlPO-21