#*********************************************************************************
#
# Crystallographic Information File for AlPO-C, hydrated
#
# Reference :
# Pluth, J.J. and Smith, J.V.
# Acta Crystallogr., C42, 1118-1120, (1986)
#
#
# 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-C_hydrated
_chemical_name_systematic 'AlPO-C, hydrated'

_cell_length_a 19.3525
_cell_length_b 9.7272
_cell_length_c 9.7621
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P b c a'
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_space_group_name_Hall '-P 2ac 2ab'
_space_group.IT_number 61

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 0.44808 0.0847 0.32419 0.23 1
AL2 Al 0.28207 0.33224 0.14654 0.21 1
P1 P 0.44769 0.34071 0.13498 0.22 1
P2 P 0.2905 0.06565 0.33879 0.21 1
O1 O 0.37433 0.3765 0.1701 0.39 1
O2 O 0.46047 0.1662 0.4804 0.45 1
O3 O 0.4952 0.4497 0.1971 0.42 1
O4 O 0.46889 0.2004 0.1942 0.34 1
O5 O 0.27397 0.0582 0.4913 0.29 1
O6 O 0.36522 0.019 0.3136 0.42 1
O7 O 0.28329 0.2158 0.2953 0.34 1
O8 O 0.25855 0.4758 0.2592 0.29 1
H1 H 0.15752 0.2988 0.0523 5.26 1
H2 H 0.16096 0.2574 0.1883 3.95 1
H3 H 0.28123 0.1025 0.0541 1.74 1
H4 H 0.30108 0.1902 0.949 1.42 1
O9 O 0.18446 0.2831 0.1193 0.58 1
O10 O 0.30512 0.173 0.034 0.39 1
O11 O 0.11929 0.144 0.3627 1.5 1
# End of data for AlPO-C_hydrated