#*********************************************************************************<br>
#<br>
# Crystallographic Information File for UiO-6, calcined <br>
#<br>
# Reference : <br>
#   Akporiaye, D.E., Fjellv&aring;g, H., Halvorsen, E.N., Haug, T., Karlsson, A. and Lillerud, K.P.<br>
#   Chem. Commun., , 1553-1554, (1996)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_UiO-6_calcined<br>
_chemical_name_systematic 'UiO-6, calcined'<br><br>

_cell_length_a      18.3549<br>
_cell_length_b      18.3206<br>
_cell_length_c      5.053 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'I m m 2'<br>
_symmetry_space_group_name_H-M   'I m m 2'<br>
_symmetry_space_group_name_Hall  'I 2 -2'<br>
_space_group.IT_number  44 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
Al1  Al  0.5  0.2867  0  0  1<br>
Al2  Al  0.6179  0.5  0.604  0  1<br>
Al3  Al  0.7205  0.1659  0.528  0  1<br>
P1  P  0.5  0.3795  0.527  0  1<br>
P2  P  0.7221  0.5  0.081  0  1<br>
P3  P  0.3554  0.7691  0.068  0  1<br>
O1  O  0.5  0.3073  -0.3398  0  1<br>
O2  O  0.5  0.3556  0.2413  0  1<br>
O3  O  0.4353  0.2154  0.0247  0  1<br>
O4  O  0.6491  0.5  0.9332  0  1<br>
O5  O  0.6738  0.5  0.3272  0  1<br>
O6  O  0.5724  0.4185  0.53  0  1<br>
O7  O  0.6709  0.195  0.8099  0  1<br>
O8  O  0.6977  0.1764  0.1912  0  1<br>
O9  O  0.8081  0.203  0.511  0  1<br>
O10  O  0.7376  0.0718  0.5281  0  1<br>

# End of data for UiO-6_calcined<br>