#*********************************************************************************
#
# 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, D.H. Brouwer and B. Marler
# 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