#*********************************************************************************
#
# Crystallographic Information File for AlPO-EN3
#
# Reference :
# Kirchner, R.M., Grosse-Kunstleve, R.W., Pluth, J.J., Wilson, S.T., Broach, R.W. and Smith, J.V.
# Microporous Mesoporous Mat., 39, 319-332, (2000)
#
#
# 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-EN3
_chemical_name_systematic 'AlPO-EN3'
_cell_length_a 10.321
_cell_length_b 13.631
_cell_length_c 17.454
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 21 21 21'
_symmetry_space_group_name_H-M 'P 21 21 21'
_symmetry_space_group_name_Hall 'P 2ac 2ab'
_space_group.IT_number 19
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 0.8718 0.0088 0.0463 1.05 1
P2 P 0.1248 0.3179 0.1721 1.05 1
P3 P 0.1135 0.817 0.8271 1.05 1
P4 P 0.881 0.4973 0.9579 1.05 1
P5 P 0.1237 0.72 0.0851 1.05 1
P6 P 0.1289 0.2104 0.9227 1.05 1
Al1 Al 0.1124 0.9905 0.946 1.22 1
Al2 Al 0.875 0.8123 0.1446 1.22 1
Al3 Al 0.1226 0.4884 0.059 1.22 1
Al4 Al 0.8804 0.3091 0.858 1.22 1
Al5 Al 0.9268 0.7311 0.9514 1.22 1
Al6 Al 0.921 0.2354 0.0511 1.22 1
O1 O 0.8514 0.2491 0.956 0.83 1
O2 O 0.8494 0.7656 0.0421 0.83 1
O3 O 0.9414 0.1067 0.0646 0.83 1
O4 O 0.9102 0.6021 0.9286 0.83 1
O5 O 0.8696 0.4348 0.8842 0.83 1
O6 O 0.8749 0.9373 0.1152 0.83 1
O7 O 0.1273 0.6078 0.0976 0.83 1
O8 O 0.0863 0.1051 0.9013 0.83 1
O9 O 0.0864 0.2483 0.0029 0.83 1
O10 O 0.966 0.4661 0.0268 0.83 1
O11 O 0.9946 0.2866 0.1359 0.83 1
O12 O 0.9674 0.9566 0.99 0.83 1
O13 O 0.044 0.7717 0.1486 0.83 1
O14 O 0.2307 0.239 0.1688 0.83 1
O15 O 0.1777 0.4108 0.1322 0.83 1
O16 O 0.9831 0.773 0.8558 0.83 1
O17 O 0.0876 0.7357 0.9998 0.83 1
O18 O 0.0946 0.3485 0.2546 0.83 1
O19 O 0.7355 0.0268 0.0144 0.83 1
O20 O 0.2163 0.7365 0.8383 0.83 1
O21 O 0.9102 0.3467 0.7561 0.83 1
O22 O 0.2701 0.7347 0.0944 0.83 1
O23 O 0.7596 0.2456 0.1026 0.83 1
O24 O 0.0393 0.2626 0.8658 0.83 1
O25 O 0.849 0.4091 0.6274 0.83 1
O26 O 0.758 0.4987 0.49 0.83 1
H2O1 O2-(H2O) 0.7788 0.3736 0.2476 4.74 1
H2O2 O2-(H2O) 0.7142 0.1702 0.2521 7.11 1
N1 N 0.0457 0.5689 0.2542 3.95 1
C1 C 0.9121 0.5366 0.2338 3.95 1
N2 N 0.4381 0.4467 0.2655 3.95 1
C2 C 0.3506 0.5317 0.2604 3.95 1
# End of data for AlPO-EN3