The material described by UCuO6 crystallizes in the triclinic P-1 space group. U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent Cu(1)O5 square pyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. Cu(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted CuO5 square pyramids that share corners with three equivalent U(1)O7 pentagonal bipyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one U(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one U(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent U(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_UCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   5.807
_cell_length_c   7.597
_cell_angle_alpha   79.694
_cell_angle_beta   85.350
_cell_angle_gamma   83.776
_symmetry_Int_Tables_number   1
_cell_volume   229.145
_cell_formula_units_Z   2
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  0.147  0.654  0.297  1.0
  U  U1  1  0.853  0.346  0.703  1.0
  Cu  Cu2  1  0.336  0.138  0.100  1.0
  Cu  Cu3  1  0.664  0.862  0.900  1.0
  O  O4  1  0.411  0.738  0.405  1.0
  O  O5  1  0.589  0.262  0.595  1.0
  O  O6  1  0.109  0.397  0.840  1.0
  O  O7  1  0.891  0.603  0.160  1.0
  O  O8  1  0.059  0.041  0.233  1.0
  O  O9  1  0.941  0.959  0.767  1.0
  O  O10  1  0.337  0.865  0.009  1.0
  O  O11  1  0.663  0.135  0.991  1.0
  O  O12  1  0.930  0.711  0.513  1.0
  O  O13  1  0.070  0.289  0.487  1.0
  O  O14  1  0.368  0.406  0.187  1.0
  O  O15  1  0.632  0.594  0.813  1.0
[/CIF]
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The material described by UCuO6 crystallizes in the triclinic P-1 space group. U(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent Cu(1)O5 square pyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. Cu(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted CuO5 square pyramids that share corners with three equivalent U(1)O7 pentagonal bipyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and  an edgeedge with one Cu(1)O5 square pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one U(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one U(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one U(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent U(1) atoms. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_UCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   5.807
_cell_length_c   7.597
_cell_angle_alpha   79.694
_cell_angle_beta   85.350
_cell_angle_gamma   83.776
_symmetry_Int_Tables_number   1
_cell_volume   229.145
_cell_formula_units_Z   2
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  0.147  0.654  0.297  1.0
  U  U1  1  0.853  0.346  0.703  1.0
  Cu  Cu2  1  0.336  0.138  0.100  1.0
  Cu  Cu3  1  0.664  0.862  0.900  1.0
  O  O4  1  0.411  0.738  0.405  1.0
  O  O5  1  0.589  0.262  0.595  1.0
  O  O6  1  0.109  0.397  0.840  1.0
  O  O7  1  0.891  0.603  0.160  1.0
  O  O8  1  0.059  0.041  0.233  1.0
  O  O9  1  0.941  0.959  0.767  1.0
  O  O10  1  0.337  0.865  0.009  1.0
  O  O11  1  0.663  0.135  0.991  1.0
  O  O12  1  0.930  0.711  0.513  1.0
  O  O13  1  0.070  0.289  0.487  1.0
  O  O14  1  0.368  0.406  0.187  1.0
  O  O15  1  0.632  0.594  0.813  1.0
[/CIF]
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