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# Crystallographic Information File for AlPO-59
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# Reference :
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# , , , ()
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# 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/
#
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data_AlPO-59
_chemical_name_systematic 'AlPO-59'
_cell_length_a 13.3756
_cell_length_b 13.3756
_cell_length_c 36.2118
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P -3 m 1'
_symmetry_space_group_name_H-M 'P -3 m 1'
_symmetry_space_group_name_Hall '-P 3 2"'
_space_group.IT_number 164
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 0.2379 1.0027 0.45792 1.78 0.706
Al2 Al 0.9106 0.5743 0.68438 1.78 0.706
Al3 Al 0.4291 0.0976 0.60431 1.78 0.706
Al4 Al 0.7625 0 0.25 1.78 0.706
Zn1 Zn 0.2379 1.0027 0.45792 1.78 0.294
Zn2 Zn 0.9106 0.5743 0.68438 1.78 0.294
Zn3 Zn 0.4291 0.0976 0.60431 1.78 0.294
Zn4 Zn 0.7625 0 0.25 1.78 0.294
P1 P 0.9994 0.7605 1.04042 1.93 1
P2 P 0.3302 0.8912 0.81043 1.93 1
P3 P 0.5733 0.9079 0.90053 1.93 1
P4 P 0.245 0 0.25 1.93 1
O1 O 0.3122 0.9978 0.28344 3.23 1
O2 O 0.3001 0.9766 0.78957 3.23 1
O3 O 0.2872 -0.0036 0.50254 3.23 1
O4 O 0.7005 0.0145 1.07391 3.23 1
O5 O 0.6633 0.0114 0.56906 3.23 1
O6 O 0.7378 0.8831 1.05327 3.23 1
O7 O 0.9275 0.5991 1.14921 3.23 1
O8 O 0.9416 0.6178 0.6385 3.23 1
O9 O 0.2228 0.4585 0.40484 3.23 1
O10 O 0.906 0.1163 0.54777 3.23 1
O11 O 0.4462 0.5455 0.912 3.23 1
O12 O 0.2249 0.1028 0.2569 3.23 1
O13 O 0.48316 0.23528 1.19932 3.23 1
O14 O 0.5397 0.4731 0.69389 3.23 1
N1 N 0.2932 0.5122 0.6703 3.24 0.3333
C1A C 0.3958 0.6258 0.6697 3.24 0.46634
C1B C 0.3263 0.4261 0.6787 3.24 0.46634
C1C C 0.2369 0.4863 0.6345 3.24 0.46634
C1D C 0.2149 0.5091 0.6984 3.24 0.41074
C1E C 0.2567 0.5992 0.7261 3.24 0.46634
N2 N 0.2824 0.6258 0.51845 3.24 0.3333
C2A C 0.3481 0.7317 0.4975 3.24 0.46634
C2B C 0.2912 0.6524 0.5575 3.24 0.41074
C2C C 0.162 0.57 0.5072 3.24 0.46634
C2D C 0.3287 0.5499 0.5114 3.24 0.46634
C2E C 0.2461 0.5595 0.5843 3.24 0.46634
N3 N -0.0277 -0.0489 0.35458 3.24 0.3333
C3A C -0.0714 -0.1728 0.3535 3.24 0.41074
C3B C -0.1243 -0.0287 0.3576 3.24 0.46634
C3C C 0.0362 0.0036 0.3211 3.24 0.46634
C3D C 0.0478 0 0.3863 3.24 0.46634
C3E C 0.9073 -0.2292 0.3179 3.24 0.46634
# End of data for AlPO-59