#*********************************************************************************
#
# Crystallographic Information File for AlPO-41, calcined 
#
# Reference : 
#   Kirchner, R.M. and Bennett, J.M.
#   Zeolites, 14, 523-528, (1994)
#
#
# 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-41_calcined
_chemical_name_systematic 'AlPO-41, calcined'

_cell_length_a      9.7179
_cell_length_b      13.7915
_cell_length_c      8.3591 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   110.6
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 1 1 21'
_symmetry_space_group_name_H-M   'P 1 1 21'
_symmetry_space_group_name_Hall  'P 2c'
_space_group.IT_number  4 

 
 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  0.562  0.122  0.638  1.97  1
Al2  Al  0.852  0.278  0.124  1.97  1
Al3  Al  0.725  0.443  0.627  1.97  1
Al4  Al  0.826  0.666  0.142  1.97  1
Al5  Al  0.58  0.743  0.672  1.97  1
P1  P  0.548  0.096  0.022  1.97  1
P2  P  0.859  0.284  0.499  1.97  1
P3  P  0.713  0.44  0.008  1.97  1
P4  P  0.828  0.671  0.518  1.97  1
P5  P  0.561  0.716  0.016  1.97  1
O1  O  0.449  0.138  0.146  3  1
O2  O  0.543  0.127  0.839  3  1
O3  O  0.708  0.156  0.042  3  1
O4  O  0.518  0.976  0.048  3  1
O5  O  0.835  0.385  0.548  3  1
O6  O  -0.006  0.294  0.559  3  1
O7  O  0.743  0.158  0.549  3  1
O8  O  0.855  0.258  0.313  3  1
O9  O  0.825  0.393  0.057  3  1
O10  O  0.752  0.551  0.11  3  1
O11  O  0.545  0.342  0.019  3  1
O12  O  0.751  0.448  0.827  3  1
O13  O  0.754  0.745  0.62  3  1
O14  O  0.775  0.554  0.572  3  1
O15  O  0.801  0.683  0.327  3  1
O16  O  -0.022  0.73  0.555  3  1
O17  O  0.744  0.742  0.061  3  1
O18  O  0.534  0.679  0.834  3  1
O19  O  0.546  0.806  0.089  3  1
O20  O  0.464  0.605  0.089  3  1

# End of data for AlPO-41_calcined