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#
# 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, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://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_