#*********************************************************************************
#
# Crystallographic Information File for UiO-20 
#
# Reference : 
#   Kongshaug, K.O., Fjellvåg, H. and Lillerud, K.P. 
#   Chem. Mater., 12, 1095-1099, (2000)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_UiO-20
_chemical_name_systematic 'UiO-20'

_cell_length_a      20.9098
_cell_length_b      17.8855
_cell_length_c      14.7913 
_cell_angle_alpha   90 
_cell_angle_beta    134.842 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_space_group.IT_number  15 

 
 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
Mg1  Mg  0.6337  0.5791  0.8697  0.71  1
Mg2  Mg  0.1339  0.5828  0.8798  0.71  1
Mg3  Mg  0.5134  0.6686  0.3938  0.63  1
Mg4  Mg  0.0011  0.6701  0.3846  0.79  1
P1  P  0.488  0.645  0.5859  0.71  1
P2  P  0.8503  0.6002  0.1141  0.63  1
P3  P  0.6496  0.3955  0.8964  0.71  1
P4  P  -0.0044  0.6504  0.5961  0.63  1
O1  O  0.5787  0.5965  0.9299  1.58  1
O2  O  0.0369  0.7735  0.4253  1.18  1
O3  O  0.5851  0.6279  0.7143  1.34  1
O4  O  0.4803  0.6232  0.4771  0.87  1
O5  O  0.9112  0.6126  0.0934  1.5  1
O6  O  0.8792  0.651  0.2222  1.11  1
O7  O  0.8516  0.5192  0.1478  0.87  1
O8  O  0.7528  0.6233  -0.0102  1.11  1
O9  O  0.6387  0.4745  0.8498  1.18  1
O10  O  0.5918  0.3403  0.785  1.03  1
O11  O  0.7491  0.3707  0.9848  0.87  1
O12  O  0.6227  0.3894  0.9709  1.18  1
O13  O  0.0852  0.6474  0.7371  1.26  1
O14  O  -0.0463  0.7283  0.5554  0.87  1
O15  O  0.9297  0.5921  0.571  1.26  1
O16  O  0.014  0.6254  0.5161  0.79  1
N1  N  0.1204  0.501  0.6262  1.03  1
N2  N  0.6261  0.5053  0.6242  1.11  1
N3  N  0.7586  0.2534  0.1335  1.03  1
N4  N  0.7341  0.7513  0.1062  1.18  1
C1  C  0.7169  0.4716  0.7168  1.11  1
C2  C  0.2119  0.5328  0.7085  1.11  1
C3  C  0.7604  0.2203  0.2269  0.87  1
C4  C  0.7403  0.7825  0.204  1.03  1

# End of data for UiO-20