#*********************************************************************************
#
# Crystallographic Information File for AlPO-18, calcined
#
# Reference :
# Simmen, A., McCusker, L.B., Baerlocher, Ch. and Meier, W.M.
# Zeolites, 11, 654-661, (1991)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_AlPO-18_calcined
_chemical_name_systematic 'AlPO-18, calcined'
_cell_length_a 13.7114
_cell_length_b 12.7315
_cell_length_c 18.5706
_cell_angle_alpha 90
_cell_angle_beta 90.01
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'C 1 2/c 1'
_symmetry_space_group_name_H-M 'C 1 2/c 1'
_symmetry_space_group_name_Hall '-C 2yc'
_space_group.IT_number 15
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 0.88997 0.95872 0.16598 0.75 1
AL2 Al 0.88129 0.22661 0.93877 0.96 1
AL3 Al 0.22953 0.09687 0.04922 1.42 1
P1 P 0.77251 0.09559 0.05384 1.42 1
P2 P 0.10981 0.23135 0.93763 0.96 1
P3 P 0.11634 0.96983 0.16394 0.75 1
O1 O 0.17723 0.05318 0.12913 0.72 1
O2 O 0.14278 0.16702 0.00209 0.72 1
O3 O 0.00371 0.25884 0.94574 0.72 1
O4 O 0.84714 0.16747 0.02039 0.72 1
O5 O 0.81686 0.04552 0.12009 0.72 1
O6 O 0.01022 0.99732 0.15632 0.72 1
O7 O 0.13601 0.8626 0.1323 0.72 1
O8 O 0.33199 0.16953 0.06981 0.72 1
O9 O 0.85795 0.96546 0.25665 0.72 1
O10 O 0.81531 0.33988 0.92509 0.72 1
O11 O 0.12779 0.16274 0.8723 0.72 1
O12 O 0.26213 -0.01281 0.99849 0.72 1
# End of data for AlPO-18_calcined