#*********************************************************************************
#
# Crystallographic Information File for JU-60, as-made
#
# Reference :
# Li,Y., Li, X., Liu, J., Duan, F. and Yu, J.
# Nat Commun, 6, 8328, (2015)
#
#
# 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_JU-60_as-made
_chemical_name_systematic 'JU-60, as-made'
_cell_length_a 13.466
_cell_length_b 13.466
_cell_length_c 25.758
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 63/m'
_symmetry_space_group_name_H-M 'P 63/m'
_symmetry_space_group_name_Hall '-P 6c'
_space_group.IT_number 176
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
P1 P 0.89979 -0.42878 0.53827 2.03 1
P2 P 0.6649 -0.43061 0.66371 1.9 1
P3 P 1.008 -0.2352 0.75 2.07 1
Mg1 Mg 0.9058 -0.4253 0.66127 2.18 0.5
Al1 Al 0.9058 -0.4253 0.66127 2.18 0.5
Al2 Al 0.662 -0.4377 0.54256 1.86 1
Al3 Al 0.7658 -0.2443 0.75 1.78 1
O1 O 0.7553 -0.4633 0.6734 3.89 1
O2 O 0.9882 -0.3555 0.4979 4.58 1
O3 O 1.0035 -0.3014 0.7015 4.03 1
O4 O 0.6918 -0.3246 0.6949 3.77 1
O5 O 0.55 -0.5288 0.6785 3.89 1
O6 O 1.1182 -0.1237 0.75 3.47 1
O7 O 0.8692 -0.5529 0.5323 3.99 1
O8 O 0.9436 -0.3843 0.5915 3.88 1
O9 O 0.6631 -0.3982 0.6074 3.34 1
O10 O 0.7948 -0.4204 0.526 3.89 1
O11 O 0.91 -0.2106 0.75 3.55 1
O1W O 0.6667 -0.6667 0.75 5.37 1
O2W O 0.447 -0.42 0.75 7.03 0.3333
C1 C 0.937 -0.123 0.5977 4.66 0.375
C2 C 1.064 -0.061 0.6073 5.68 0.375
C3 C 0.729 -0.544 0.3965 6.24 0.375
C4 C 0.781 -0.611 0.3919 8.84 0.375
# End of data for JU-60_as-made