#*********************************************************************************
#
# Crystallographic Information File for AlPO-52, calcined, rehydrated  
#
# Reference : 
#   McGuire, N.K., Bateman, C.A., Blackwell, C.S., Wilson, S.T. and Kirchner, R.M.
#   Zeolites, 15, 460-469, (1995)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_AlPO-52_calcined_rehydrated_
_chemical_name_systematic 'AlPO-52, calcined, rehydrated '

_cell_length_a      13.715
_cell_length_b      13.715
_cell_length_c      29.676 
_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 1 c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_symmetry_space_group_name_Hall  '-P 3 2c'
_space_group.IT_number  163 

 
 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  0.231  0  0.198  1.97  1
Al2  Al  0.341  0.445  0.469  1.97  1
Al3  Al  0.435  0.326  0.635  1.97  1
P1  P  0.225  0.223  0.202  1.97  1
P2  P  0.339  0.448  0.368  1.97  1
P3  P  0.435  0.329  0.534  1.97  1
O1  O  0.267  0.007  0.253  1.97  1
O2  O  0.234  0.125  0.182  1.97  1
O3  O  0.097  -0.103  0.195  1.97  1
O4  O  0.317  -0.026  0.163  1.97  1
O5  O  0.344  0.413  0.414  1.97  1
O6  O  0.362  0.354  0.503  1.97  1
O7  O  0.445  0.581  0.477  1.97  1
O8  O  0.223  0.453  0.487  1.97  1
O9  O  0.302  0.323  0.17  1.97  1
O10  O  0.472  0.224  0.648  1.97  1
O11  O  0.55  0.452  0.651  1.97  1
O12  O  0.394  0.318  0.58  1.97  1

# End of data for AlPO-52_calcined_rehydrated_