#*********************************************************************************
#
# Crystallographic Information File for AlPO-11, calcined
#
# Reference :
# Richardson Jr., J.W., Pluth, J.J. and Smith, J.V.
# Acta Crystallogr., B44, 367-373, (1988)
#
#
# 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-11_calcined
_chemical_name_systematic 'AlPO-11, calcined'

_cell_length_a 13.5336
_cell_length_b 18.4821
_cell_length_c 8.3703
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I b m 2'
_symmetry_space_group_name_H-M 'I b m 2'
_symmetry_space_group_name_Hall 'I 2 -2b'
_space_group.IT_number 46

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 0.134 0.035 -0.199 2.76 1
AL2 Al 0.949 0.102 0.317 3.54 1
AL3 Al 0.85 0.25 -0.185 1.89 1
P1 P 0.143 0.025 0.182 2.76 1
P2 P 0.953 0.104 -0.306 3.54 1
P3 P 0.857 0.25 0.185 1.89 1
O1 O 0.143 0.039 0 12.15 1
O2 O 0.945 0.105 0.517 6.09 1
O3 O 0.86 0.25 0.024 9.72 1
O4 O 0.242 0.068 0.243 5.04 1
O5 O 0.068 0.088 0.252 5.37 1
O51 O 0.057 0.091 -0.257 5.37 1
O6 O 0.118 0.955 0.232 8.52 1
O61 O 0.125 0.954 -0.264 8.52 1
O7 O 0.913 0.179 0.232 8.76 1
O71 O 0.909 0.177 -0.263 8.76 1
O8 O 0.762 0.25 0.234 7.02 1
# End of data for AlPO-11_calcined