#*********************************************************************************
#
# 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, L.B. McCusker and D.H. Brouwer
# 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