#*********************************************************************************
#
# Crystallographic Information File for AlPO-14, calcined
#
# Reference :
# Broach, R.W., Wilson, S.T. and Kirchner, R.M.
# Proc. 12th Int. Zeolite Conf., III, pp. 1715-1722, (1999)
#
#
# 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-14_calcined
_chemical_name_systematic 'AlPO-14, calcined'

_cell_length_a 9.7041
_cell_length_b 9.7361
_cell_length_c 10.202
_cell_angle_alpha 77.811
_cell_angle_beta 77.504
_cell_angle_gamma 87.691
_cell_formula_units_Z 1

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

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 0.273 0.7425 0.8445 0.79 1
Al2 Al 0.4322 0.2004 0.908 0.79 1
Al3 Al 0.8141 0.0506 0.6558 0.79 1
Al4 Al 0.0699 0.4732 0.2015 0.79 1
P1 P 0.5246 0.9351 0.7996 1.03 1
P2 P 0.201 0.4282 0.901 1.03 1
P3 P 0.9511 0.1884 0.3437 1.03 1
P4 P 0.752 0.274 0.84 1.03 1
O1 O 0.0766 0.4368 0.8348 0.79 1
O2 O 0.3024 0.3126 0.8628 0.79 1
O3 O 0.7757 0.2329 -0.0177 0.79 1
O4 O 0.4396 0.642 0.8307 0.79 1
O5 O 0.4431 0.8367 0.7641 0.79 1
O6 O 0.2989 0.5607 0.848 0.79 1
O7 O 0.0245 0.3297 0.3318 0.79 1
O8 O 0.8582 0.1495 0.4864 0.79 1
O9 O 0.9407 0.9216 0.6755 0.79 1
O10 O 0.1609 0.4094 0.0595 0.79 1
O11 O 0.8659 0.1898 0.2366 0.79 1
O12 O 0.6009 0.2911 0.8439 0.79 1
O13 O 0.8048 0.1556 0.7691 0.79 1
O14 O 0.3519 0.0299 0.3184 0.79 1
O15 O 0.4183 0.1391 0.0786 0.79 1
O16 O 0.821 0.4141 0.7623 0.79 1
# End of data for AlPO-14_calcined