The structure described by U3CuO10 crystallizes in the triclinic P-1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form UO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent U(2)O7 pentagonal bipyramids, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second U site, U(2) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  an edgeedge with one U(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 4-40°. Cu(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent U(2)O7 pentagonal bipyramids, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one U(1) and one U(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one U(1), one U(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one U(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent U(2) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one U(1) and two equivalent U(2) atoms. is represented by the CIF card [CIF]
data_U3CuO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.670
_cell_length_c   7.607
_cell_angle_alpha   71.082
_cell_angle_beta   69.648
_cell_angle_gamma   71.033
_symmetry_Int_Tables_number   1
_cell_volume   209.206
_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
  U  U1  1  0.547  0.458  0.730  1.0
  U  U2  1  0.453  0.542  0.270  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.693  0.762  0.143  1.0
  O  O5  1  0.918  0.079  0.749  1.0
  O  O6  1  0.082  0.921  0.251  1.0
  O  O7  1  0.233  0.326  0.360  1.0
  O  O8  1  0.314  0.701  0.535  1.0
  O  O9  1  0.296  0.690  0.965  1.0
  O  O10  1  0.307  0.238  0.857  1.0
  O  O11  1  0.686  0.299  0.465  1.0
  O  O12  1  0.767  0.674  0.640  1.0
  O  O13  1  0.704  0.310  0.035  1.0
[/CIF]
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The structure described by U3CuO10 crystallizes in the triclinic P-1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form UO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent U(2)O7 pentagonal bipyramids, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second U site, U(2) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  an edgeedge with one U(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 4-40°. Cu(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent U(1)O6 octahedra, corners with four equivalent U(2)O7 pentagonal bipyramids, and edges with two equivalent U(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one U(1) and one U(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one U(1), one U(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one U(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent U(2) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one U(1) and two equivalent U(2) atoms. is represented by the CIF card [CIF]
data_U3CuO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.633
_cell_length_b   5.670
_cell_length_c   7.607
_cell_angle_alpha   71.082
_cell_angle_beta   69.648
_cell_angle_gamma   71.033
_symmetry_Int_Tables_number   1
_cell_volume   209.206
_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
  U  U1  1  0.547  0.458  0.730  1.0
  U  U2  1  0.453  0.542  0.270  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.693  0.762  0.143  1.0
  O  O5  1  0.918  0.079  0.749  1.0
  O  O6  1  0.082  0.921  0.251  1.0
  O  O7  1  0.233  0.326  0.360  1.0
  O  O8  1  0.314  0.701  0.535  1.0
  O  O9  1  0.296  0.690  0.965  1.0
  O  O10  1  0.307  0.238  0.857  1.0
  O  O11  1  0.686  0.299  0.465  1.0
  O  O12  1  0.767  0.674  0.640  1.0
  O  O13  1  0.704  0.310  0.035  1.0
[/CIF]
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