The crystal structure described by UCu4(MoO8)2 crystallizes in the monoclinic C2/m space group. U(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form UO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent U(1)O6 octahedra, and corners with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(6), and four equivalent O(1) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one U(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one U(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mo(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_UCu4(MoO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.360
_cell_length_b   5.963
_cell_length_c   10.957
_cell_angle_alpha   105.790
_cell_angle_beta   101.970
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.072
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  U  U0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.497  0.749  0.497  1.0
  Cu  Cu2  1  0.503  0.251  0.503  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.696  0.583  0.166  1.0
  Mo  Mo6  1  0.304  0.417  0.834  1.0
  O  O7  1  0.708  0.030  0.571  1.0
  O  O8  1  0.708  0.541  0.571  1.0
  O  O9  1  0.292  0.970  0.429  1.0
  O  O10  1  0.292  0.459  0.429  1.0
  O  O11  1  0.632  0.450  0.899  1.0
  O  O12  1  0.368  0.550  0.101  1.0
  O  O13  1  0.864  0.206  0.412  1.0
  O  O14  1  0.136  0.794  0.588  1.0
  O  O15  1  0.702  0.940  0.879  1.0
  O  O16  1  0.298  0.060  0.121  1.0
  O  O17  1  0.848  0.815  0.123  1.0
  O  O18  1  0.848  0.308  0.123  1.0
  O  O19  1  0.152  0.185  0.877  1.0
  O  O20  1  0.152  0.692  0.877  1.0
  O  O21  1  0.738  0.670  0.340  1.0
  O  O22  1  0.262  0.330  0.660  1.0
[/CIF]
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The crystal structure described by UCu4(MoO8)2 crystallizes in the monoclinic C2/m space group. U(1) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form UO6 octahedra that share corners with four equivalent Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent U(1)O6 octahedra, and corners with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(6), and four equivalent O(1) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one U(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one U(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mo(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_UCu4(MoO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.360
_cell_length_b   5.963
_cell_length_c   10.957
_cell_angle_alpha   105.790
_cell_angle_beta   101.970
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.072
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  U  U0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.497  0.749  0.497  1.0
  Cu  Cu2  1  0.503  0.251  0.503  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.696  0.583  0.166  1.0
  Mo  Mo6  1  0.304  0.417  0.834  1.0
  O  O7  1  0.708  0.030  0.571  1.0
  O  O8  1  0.708  0.541  0.571  1.0
  O  O9  1  0.292  0.970  0.429  1.0
  O  O10  1  0.292  0.459  0.429  1.0
  O  O11  1  0.632  0.450  0.899  1.0
  O  O12  1  0.368  0.550  0.101  1.0
  O  O13  1  0.864  0.206  0.412  1.0
  O  O14  1  0.136  0.794  0.588  1.0
  O  O15  1  0.702  0.940  0.879  1.0
  O  O16  1  0.298  0.060  0.121  1.0
  O  O17  1  0.848  0.815  0.123  1.0
  O  O18  1  0.848  0.308  0.123  1.0
  O  O19  1  0.152  0.185  0.877  1.0
  O  O20  1  0.152  0.692  0.877  1.0
  O  O21  1  0.738  0.670  0.340  1.0
  O  O22  1  0.262  0.330  0.660  1.0
[/CIF]
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