data_U60_6_UO2_6
_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     1.41213  -0.25958  -0.38427   0.00000  Uiso   1.00
O2     O     1.27726  -0.32493  -0.40283   0.00000  Uiso   1.00
O3     O     1.35094  -0.41130  -0.30338   0.00000  Uiso   1.00
O4     O     1.41213  -0.25958  -0.65173   0.00000  Uiso   1.00
O5     O     1.27726  -0.32493  -0.63316   0.00000  Uiso   1.00
O6     O     1.35094  -0.41130  -0.73261   0.00000  Uiso   1.00
O7     O     1.68035  -0.30978  -0.51800   0.00000  Uiso   1.00
O8     O     1.68792  -0.48821  -0.51800   0.00000  Uiso   1.00
O9     O     1.49471  -0.30978  -0.51800   0.00000  Uiso   1.00
O10    O     1.48714  -0.48821  -0.51800   0.00000  Uiso   1.00
O11    O     1.37292  -0.27492  -0.24106   0.00000  Uiso   1.00
O12    O     1.37292  -0.27492  -0.79493   0.00000  Uiso   1.00
O13    O     1.58753  -0.40430  -0.44867   0.00000  Uiso   1.00
O14    O     1.58753  -0.40430  -0.58732   0.00000  Uiso   1.00
O15    O     1.72278  -0.40354  -0.63032   0.00000  Uiso   1.00
O16    O     1.45228  -0.40354  -0.40567   0.00000  Uiso   1.00
O17    O     1.48430  -0.33989  -0.28236   0.00000  Uiso   1.00
O18    O     1.45228  -0.40354  -0.63032   0.00000  Uiso   1.00
O19    O     1.48430  -0.33989  -0.75363   0.00000  Uiso   1.00
O20    O     1.72278  -0.40354  -0.40567   0.00000  Uiso   1.00
O21    O     1.78301  -0.39445  -0.58979   0.00000  Uiso   1.00
O22    O     1.39205  -0.39445  -0.44621   0.00000  Uiso   1.00
O23    O     1.27025  -0.29178  -0.33653   0.00000  Uiso   1.00
O24    O     1.39205  -0.39445  -0.58979   0.00000  Uiso   1.00
O25    O     1.27025  -0.29178  -0.69946   0.00000  Uiso   1.00
O26    O     1.78301  -0.39445  -0.44621   0.00000  Uiso   1.00
U1     U     1.68641  -0.39994  -0.51800   0.00000  Uiso   1.00
U2     U     1.48865  -0.39994  -0.51800   0.00000  Uiso   1.00
U3     U     1.38125  -0.33478  -0.34430   0.00000  Uiso   1.00
U4     U     1.38125  -0.33478  -0.69169   0.00000  Uiso   1.00
H1     H     1.73327  -0.44556  -0.65503   0.00000  Uiso   1.00
H2     H     1.79998  -0.35071  -0.60670   0.00000  Uiso   1.00
H3     H     1.80950  -0.43500  -0.43428   0.00000  Uiso   1.00
H4     H     1.72410  -0.36344  -0.37604   0.00000  Uiso   1.00
H5     H     1.23430  -0.31920  -0.31563   0.00000  Uiso   1.00
H6     H     1.26757  -0.28684  -0.43336   0.00000  Uiso   1.00
H7     H     1.24220  -0.36016  -0.63618   0.00000  Uiso   1.00
H8     H     1.26025  -0.24491  -0.68578   0.00000  Uiso   1.00
H9     H     1.58823  -0.44339  -0.41886   0.00000  Uiso   1.00
H10    H     1.58770  -0.44493  -0.61508   0.00000  Uiso   1.00
H11    H     1.47377  -0.37076  -0.79042   0.00000  Uiso   1.00
H12    H     1.33990  -0.29700  -0.82399   0.00000  Uiso   1.00
H13    H     1.35717  -0.30653  -0.20691   0.00000  Uiso   1.00
H14    H     1.46974  -0.30301  -0.25291   0.00000  Uiso   1.00
O27    O     1.41107  -0.60042  -0.53544   0.00000  Uiso   1.00
O28    O     1.55292  -0.63099  -0.45876   0.00000  Uiso   1.00
O29    O     1.46317  -0.74328  -0.51981   0.00000  Uiso   1.00
O30    O     1.44711  -0.70392  -0.66427   0.00000  Uiso   1.00
O31    O     1.54450  -0.60628  -0.60353   0.00000  Uiso   1.00
O32    O     1.60267  -0.74328  -0.57498   0.00000  Uiso   1.00
U5     U     1.50362  -0.67460  -0.56155   0.00000  Uiso   1.00
H15    H     1.41588  -0.74162  -0.67045   0.00000  Uiso   1.00
H16    H     1.42576  -0.55377  -0.52596   0.00000  Uiso   1.00
H17    H     1.58886  -0.59735  -0.45793   0.00000  Uiso   1.00
H18    H     1.44555  -0.67781  -0.70604   0.00000  Uiso   1.00
H19    H     1.61256  -0.78394  -0.54893   0.00000  Uiso   1.00
H20    H     1.55371  -0.65303  -0.41460   0.00000  Uiso   1.00
H21    H     1.48017  -0.36065  -0.63276   0.00000  Uiso   1.00
H22    H     1.48004  -0.36044  -0.40340   0.00000  Uiso   1.00
H23    H     1.64628  -0.72736  -0.59154   0.00000  Uiso   1.00
H24    H     1.37468  -0.61064  -0.50383   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     0.984   .     S
O15    H1      0.997   .     S
O15    O21     1.463   .     S
O16    H22     1.026   .     S
O16    O22     1.463   .     S
O17    H14     0.988   .     S
O18    H21     1.024   .     S
O18    O24     1.463   .     S
O19    H11     0.983   .     S
O20    H4      0.998   .     S
O20    O26     1.463   .     S
O21    H2      0.997   .     S
O23    H5      0.996   .     S
O25    H8      0.997   .     S
O26    H3      0.998   .     S
O27    H16     0.996   .     S
O27    H24     0.986   .     S
O28    H17     0.985   .     S
O28    H20     0.987   .     S
O30    H15     0.987   .     S
O30    H18     0.986   .     S
O32    H23     0.986   .     S
O32    H19     0.986   .     S
