data_U60_6_UO2_5
_audit_creation_date              2022-09-12
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a                    20.0000
_cell_length_b                    20.0000
_cell_length_c                    20.0000
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
O1     O     1.41250  -0.29399  -0.33680   0.00000  Uiso   1.00
O2     O     1.27763  -0.35934  -0.35536   0.00000  Uiso   1.00
O3     O     1.35132  -0.44571  -0.25592   0.00000  Uiso   1.00
O4     O     1.41250  -0.29399  -0.60426   0.00000  Uiso   1.00
O5     O     1.27763  -0.35934  -0.58570   0.00000  Uiso   1.00
O6     O     1.35132  -0.44571  -0.68514   0.00000  Uiso   1.00
O7     O     1.68072  -0.34418  -0.47053   0.00000  Uiso   1.00
O8     O     1.68830  -0.52262  -0.47053   0.00000  Uiso   1.00
O9     O     1.49509  -0.34418  -0.47053   0.00000  Uiso   1.00
O10    O     1.48751  -0.52262  -0.47053   0.00000  Uiso   1.00
O11    O     1.37329  -0.30933  -0.19360   0.00000  Uiso   1.00
O12    O     1.37329  -0.30933  -0.74746   0.00000  Uiso   1.00
O13    O     1.58790  -0.43870  -0.40120   0.00000  Uiso   1.00
O14    O     1.58790  -0.43870  -0.53986   0.00000  Uiso   1.00
O15    O     1.72315  -0.43795  -0.58286   0.00000  Uiso   1.00
O16    O     1.45266  -0.43795  -0.35821   0.00000  Uiso   1.00
O17    O     1.48467  -0.37430  -0.23489   0.00000  Uiso   1.00
O18    O     1.45266  -0.43795  -0.58286   0.00000  Uiso   1.00
O19    O     1.48467  -0.37430  -0.70617   0.00000  Uiso   1.00
O20    O     1.72315  -0.43795  -0.35821   0.00000  Uiso   1.00
O21    O     1.78339  -0.42885  -0.54232   0.00000  Uiso   1.00
O22    O     1.39242  -0.42885  -0.39874   0.00000  Uiso   1.00
O23    O     1.27063  -0.32619  -0.28907   0.00000  Uiso   1.00
O24    O     1.39242  -0.42885  -0.54232   0.00000  Uiso   1.00
O25    O     1.27063  -0.32619  -0.65200   0.00000  Uiso   1.00
O26    O     1.78339  -0.42885  -0.39874   0.00000  Uiso   1.00
U1     U     1.68678  -0.43435  -0.47053   0.00000  Uiso   1.00
U2     U     1.48903  -0.43435  -0.47053   0.00000  Uiso   1.00
U3     U     1.38163  -0.36919  -0.29683   0.00000  Uiso   1.00
U4     U     1.38163  -0.36919  -0.64423   0.00000  Uiso   1.00
H1     H     1.73401  -0.48011  -0.60712   0.00000  Uiso   1.00
H2     H     1.80040  -0.38531  -0.55962   0.00000  Uiso   1.00
H3     H     1.80958  -0.46944  -0.38638   0.00000  Uiso   1.00
H4     H     1.72475  -0.39774  -0.32875   0.00000  Uiso   1.00
H5     H     1.23494  -0.35426  -0.26860   0.00000  Uiso   1.00
H6     H     1.26812  -0.32131  -0.38601   0.00000  Uiso   1.00
H7     H     1.24254  -0.39450  -0.58898   0.00000  Uiso   1.00
H8     H     1.26157  -0.27911  -0.63842   0.00000  Uiso   1.00
H9     H     1.58825  -0.47975  -0.37416   0.00000  Uiso   1.00
H10    H     1.58760  -0.48194  -0.56344   0.00000  Uiso   1.00
H11    H     1.47107  -0.40389  -0.74297   0.00000  Uiso   1.00
H12    H     1.33083  -0.32143  -0.76914   0.00000  Uiso   1.00
H13    H     1.35669  -0.34082  -0.15976   0.00000  Uiso   1.00
H14    H     1.46311  -0.34470  -0.20138   0.00000  Uiso   1.00
O27    O     1.41170  -0.63401  -0.49029   0.00000  Uiso   1.00
O28    O     1.55481  -0.66432  -0.41272   0.00000  Uiso   1.00
O29    O     1.46625  -0.77700  -0.46908   0.00000  Uiso   1.00
O30    O     1.44939  -0.74340  -0.61964   0.00000  Uiso   1.00
O31    O     1.54584  -0.64357  -0.56268   0.00000  Uiso   1.00
O32    O     1.60509  -0.78013  -0.53054   0.00000  Uiso   1.00
U5     U     1.50543  -0.70984  -0.51579   0.00000  Uiso   1.00
H15    H     1.41222  -0.77541  -0.62369   0.00000  Uiso   1.00
H16    H     1.42953  -0.58833  -0.48091   0.00000  Uiso   1.00
H17    H     1.58935  -0.62941  -0.41110   0.00000  Uiso   1.00
H18    H     1.44827  -0.71597  -0.66052   0.00000  Uiso   1.00
H19    H     1.61398  -0.82093  -0.50447   0.00000  Uiso   1.00
H20    H     1.55708  -0.68760  -0.36940   0.00000  Uiso   1.00
H21    H     1.48082  -0.39532  -0.58540   0.00000  Uiso   1.00
H22    H     1.48068  -0.39518  -0.35718   0.00000  Uiso   1.00
H23    H     1.64927  -0.76264  -0.54345   0.00000  Uiso   1.00
H24    H     1.37909  -0.64352  -0.45466   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O2     H6      0.995   .     S
O2     O23     1.489   .     S
O5     H7      0.996   .     S
O5     O25     1.489   .     S
O11    H13     0.982   .     S
O12    H12     0.984   .     S
O13    H9      0.983   .     S
O14    H10     0.985   .     S
O15    H1      0.997   .     S
O15    O21     1.463   .     S
O16    H22     1.023   .     S
O16    O22     1.463   .     S
O17    H14     0.993   .     S
O18    H21     1.023   .     S
O18    O24     1.463   .     S
O19    H11     0.983   .     S
O20    H4      0.997   .     S
O20    O26     1.463   .     S
O21    H2      0.997   .     S
O23    H5      0.996   .     S
O25    H8      0.997   .     S
O26    H3      0.997   .     S
O27    H16     0.998   .     S
O27    H24     0.985   .     S
O28    H17     0.983   .     S
O28    H20     0.985   .     S
O30    H15     0.985   .     S
O30    H18     0.985   .     S
O32    H19     0.985   .     S
O32    H23     0.985   .     S
