#*********************************************************************************
#
# Crystallographic Information File for PUK-9
#
# Reference :
# Su, J., Wang, Y., Wang, Z. and Lin, J.
# J. Am. Chem. Soc., 131, 6080-6081, (2009)
#
#
# 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_PUK-9
_chemical_name_systematic 'PUK-9'
_cell_length_a 15.578
_cell_length_b 9.1704
_cell_length_c 19.993
_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 n'
_symmetry_space_group_name_H-M 'P b c n'
_symmetry_space_group_name_Hall '-P 2n 2ab'
_space_group.IT_number 60
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
Ge1 Ge 0.63216 0.79958 0.64727 1.41 0.78
Ge2 Ge 0.49375 0.58373 0.59932 1.34 0.78
Ge3 Ge 0.21865 0.40739 0.41086 1.63 0.78
Ge4 Ge 0.36915 0.61943 0.47471 1.5 0.78
Ge5 Ge 0.5 0.67442 0.75 1.35 0.78
Al1 Al 0.63216 0.79958 0.64727 1.41 0.22
Al2 Al 0.49375 0.58373 0.59932 1.34 0.22
Al3 Al 0.21865 0.40739 0.41086 1.63 0.22
Al4 Al 0.36915 0.61943 0.47471 1.5 0.22
Al5 Al 0.5 0.67442 0.75 1.35 0.22
O1 O 0.5591 0.7352 0.5875 2.08 1
O2 O 0.3962 0.604 0.558 2.5 1
O3 O 0.2804 0.5082 0.4643 2.45 1
O4 O 0.2748 0.3028 0.3541 2.76 1
O5 O 0.5855 0.7846 0.7261 2.57 1
O6 O 0.4695 0.5644 0.6829 2.25 1
O7 O 0.4568 0.5751 0.4258 2.57 1
O8 O 0.6506 0.9833 0.6357 2.85 1
O9 O 0.1552 0.3005 0.4619 2.9 1
N1 N 0.6234 0.8917 0.3784 6.32 1
C1 C 0.6539 0.7749 0.4168 12.6 1
H1A H 0.6063 0.7219 0.4351 19 1
H1B H 0.689 0.8116 0.4525 19 1
H1C H 0.6875 0.7113 0.3891 19 1
C2 C 0.5659 0.8447 0.3274 19 1
H2A H 0.534 0.9265 0.3093 22.8 1
H2B H 0.5256 0.7734 0.3447 22.8 1
C3 C 0.5763 0.987 0.4207 33.2 1
H3A H 0.5281 0.9352 0.4393 49.9 1
H3B H 0.5561 1.0685 0.3953 49.9 1
H3C H 0.6126 1.0202 0.4563 49.9 1
C4 C 0.695 0.964 0.351 24.1 1
H4A H 0.6759 1.046 0.3249 36.2 1
H4B H 0.7264 0.8982 0.3228 36.2 1
H4C H 0.7316 0.9979 0.3864 36.2 1
C5 C 0.626 0.774 0.2715 32.4 1
H5A H 0.5914 0.7375 0.2355 48.6 1
H5B H 0.6583 0.695 0.2907 48.6 1
H5C H 0.665 0.8464 0.2547 48.6 1
# End of data for PUK-9