#*********************************************************************************
#
# Crystallographic Information File for UiO-28
#
# Reference :
# Kongshaug, K.O., Fjellvåg, H. and Lillerud, K.P.
# J. Mater. Chem., 11, 1242-1247, (2001)
#
#
# 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_UiO-28
_chemical_name_systematic 'UiO-28'
_cell_length_a 9.2769
_cell_length_b 14.7984
_cell_length_c 14.6106
_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 m'
_symmetry_space_group_name_H-M 'P b c m'
_symmetry_space_group_name_Hall '-P 2c 2b'
_space_group.IT_number 57
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 0.8765 0.343 0.25 0.046 1
P2 P 0.682 -0.0279 0.25 0.041 1
P3 P 0.1482 0.13343 0.1031 0.05 1
Al1 Al 0.1426 0.347 0.115 0.048 0.82
Mg1 Mg 0.1426 0.347 0.115 0.048 0.18
Al2 Al 0.9015 0.1356 0.25 0.045 1
Al3 Al 0.3323 0.0204 0.25 0.042 0.3
Mg3 Mg 0.3323 0.0204 0.25 0.042 0.7
O1 O 0.8256 0.2444 0.25 0.059 1
O2 O 0.7471 0.4018 0.25 0.075 1
O3 O 0.9667 0.3592 0.1638 0.071 1
O4 O 0.7559 0.0616 0.25 0.093 1
O5 O 0.5265 -0.0138 0.25 0.098 1
O6 O 0.7279 -0.0783 0.3337 0.095 1
O7 O 0.2562 0.0668 0.1397 0.086 1
O8 O 0.127 0.1149 0.0007 0.078 1
O9 O 0.0026 0.1206 0.149 0.072 1
O10 O 0.1983 0.2308 0.1167 0.063 1
OW1 O 0.4385 0.1583 0.25 0.137 0.48
OW2 O 0.5019 0.2552 0.25 0.349 0.53
N1 N 0.213 -0.084 0.0054 0.087 1
N2 N 0.6248 0.2425 0.0481 0.099 0.5
C1 C 0.3689 -0.0966 -0.0138 0.136 1
C2 C 0.4356 -0.1743 0.4729 0.131 1
# End of data for UiO-28