#*********************************************************************************
#
# Crystallographic Information File for AlPO-D
#
# Reference :
# Keller, E.B., Meier, W.M. and Kirchner, R.M.
# Solid State Ionics, 43, 93-102, (1990)
#
#
# 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-D
_chemical_name_systematic 'AlPO-D'
_cell_length_a 19.187
_cell_length_b 8.576
_cell_length_c 9.804
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P c a 21'
_symmetry_space_group_name_H-M 'P c a 21'
_symmetry_space_group_name_Hall 'P 2c -2ac'
_space_group.IT_number 29
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
AL11 Al 0.531 0.065 0.133 9.1 1
AL12 Al 0.572 0.574 0.385 4 1
AL21 Al 0.721 0.074 0.32 0.2 1
AL22 Al 0.681 0.572 0.026 0.8 1
P11 P 0.574 -0.031 0.421 6.9 1
P12 P 0.529 0.473 0.107 2.5 1
P21 P 0.68 -0.051 0.04 0.8 1
P22 P 0.724 0.453 0.298 0.2 1
O11 O 0.645 0.035 0.406 1.3 1
O12 O 0.593 0.526 0.031 0 1
O21 O 0.531 0.284 0.13 8.7 1
O22 O 0.584 0.784 0.418 4 1
O31 O 0.54 0.017 0.553 6.4 1
O32 O 0.469 0.518 0.019 0.8 1
O41 O 0.532 0.018 0.302 5.1 1
O42 O 0.524 0.557 0.238 0.8 1
O51 O 0.691 0.773 0.06 4 1
O52 O 0.734 0.278 0.32 8 1
O61 O 0.601 -0.015 0.045 0.7 1
O62 O 0.655 0.498 0.361 9.4 1
O71 O 0.716 0.025 0.154 0.8 1
O72 O 0.724 0.478 0.15 0.8 1
O81 O 0.789 -0.01 0.405 0.8 1
O82 O 0.719 0.539 0.869 6.2 1
# End of data for AlPO-D