The material structure described by UCu4(SeO7)2 crystallizes in the orthorhombic Pmn2_1 space group. U(1) is bonded in an octahedral geometry to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form distorted edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to one O(4), one O(7), two equivalent O(10), and two equivalent O(9) atoms to form distorted edge-sharing CuO6 octahedra. In the third Cu site, Cu(3) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted edge-sharing CuO6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(5) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(6) atoms. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a distorted water-like geometry to one Cu(1) and two equivalent Cu(3) atoms. In the second O site, O(9) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the third O site, O(10) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent Cu(3), and one Se(1) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(3), and one Se(2) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one U(1) and one Se(1) atom. In the ninth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one Se(2) atom. In the tenth O site, O(7) is bonded in a distorted water-like geometry to one Cu(2) and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_UCu4(SeO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   5.885
_cell_length_c   19.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.696
_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  0.686  0.500  0.500  1.0
  U  U1  1  0.314  0.000  1.000  1.0
  Cu  Cu2  1  0.605  0.500  0.249  1.0
  Cu  Cu3  1  0.395  0.000  0.749  1.0
  Cu  Cu4  1  0.392  0.500  0.753  1.0
  Cu  Cu5  1  0.608  0.000  0.253  1.0
  Cu  Cu6  1  0.107  0.252  0.251  1.0
  Cu  Cu7  1  0.107  0.748  0.251  1.0
  Cu  Cu8  1  0.893  0.248  0.751  1.0
  Cu  Cu9  1  0.893  0.752  0.751  1.0
  Se  Se10  1  0.982  0.500  0.083  1.0
  Se  Se11  1  0.018  0.000  0.583  1.0
  Se  Se12  1  0.646  0.500  0.917  1.0
  Se  Se13  1  0.354  0.000  0.417  1.0
  O  O14  1  0.397  0.500  0.547  1.0
  O  O15  1  0.603  0.000  0.047  1.0
  O  O16  1  0.972  0.500  0.451  1.0
  O  O17  1  0.028  0.000  0.951  1.0
  O  O18  1  0.933  0.500  0.167  1.0
  O  O19  1  0.067  0.000  0.667  1.0
  O  O20  1  0.689  0.500  0.833  1.0
  O  O21  1  0.311  0.000  0.333  1.0
  O  O22  1  0.181  0.276  0.070  1.0
  O  O23  1  0.181  0.724  0.070  1.0
  O  O24  1  0.819  0.224  0.570  1.0
  O  O25  1  0.819  0.776  0.570  1.0
  O  O26  1  0.447  0.276  0.930  1.0
  O  O27  1  0.447  0.724  0.930  1.0
  O  O28  1  0.553  0.224  0.430  1.0
  O  O29  1  0.553  0.776  0.430  1.0
  O  O30  1  0.991  0.500  0.705  1.0
  O  O31  1  0.009  0.000  0.205  1.0
  O  O32  1  0.201  0.500  0.299  1.0
  O  O33  1  0.799  0.000  0.799  1.0
  O  O34  1  0.786  0.257  0.287  1.0
  O  O35  1  0.786  0.743  0.287  1.0
  O  O36  1  0.214  0.243  0.787  1.0
  O  O37  1  0.214  0.757  0.787  1.0
  O  O38  1  0.429  0.245  0.214  1.0
  O  O39  1  0.429  0.755  0.214  1.0
  O  O40  1  0.571  0.255  0.714  1.0
  O  O41  1  0.571  0.745  0.714  1.0
[/CIF]
.
The material structure described by UCu4(SeO7)2 crystallizes in the orthorhombic Pmn2_1 space group. U(1) is bonded in an octahedral geometry to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form distorted edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to one O(4), one O(7), two equivalent O(10), and two equivalent O(9) atoms to form distorted edge-sharing CuO6 octahedra. In the third Cu site, Cu(3) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted edge-sharing CuO6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3) and two equivalent O(5) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(6) atoms. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a distorted water-like geometry to one Cu(1) and two equivalent Cu(3) atoms. In the second O site, O(9) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the third O site, O(10) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one U(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Cu(1), two equivalent Cu(3), and one Se(1) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(3), and one Se(2) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one U(1) and one Se(1) atom. In the ninth O site, O(6) is bonded in a bent 150 degrees geometry to one U(1) and one Se(2) atom. In the tenth O site, O(7) is bonded in a distorted water-like geometry to one Cu(2) and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_UCu4(SeO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   5.885
_cell_length_c   19.935
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.696
_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  0.686  0.500  0.500  1.0
  U  U1  1  0.314  0.000  1.000  1.0
  Cu  Cu2  1  0.605  0.500  0.249  1.0
  Cu  Cu3  1  0.395  0.000  0.749  1.0
  Cu  Cu4  1  0.392  0.500  0.753  1.0
  Cu  Cu5  1  0.608  0.000  0.253  1.0
  Cu  Cu6  1  0.107  0.252  0.251  1.0
  Cu  Cu7  1  0.107  0.748  0.251  1.0
  Cu  Cu8  1  0.893  0.248  0.751  1.0
  Cu  Cu9  1  0.893  0.752  0.751  1.0
  Se  Se10  1  0.982  0.500  0.083  1.0
  Se  Se11  1  0.018  0.000  0.583  1.0
  Se  Se12  1  0.646  0.500  0.917  1.0
  Se  Se13  1  0.354  0.000  0.417  1.0
  O  O14  1  0.397  0.500  0.547  1.0
  O  O15  1  0.603  0.000  0.047  1.0
  O  O16  1  0.972  0.500  0.451  1.0
  O  O17  1  0.028  0.000  0.951  1.0
  O  O18  1  0.933  0.500  0.167  1.0
  O  O19  1  0.067  0.000  0.667  1.0
  O  O20  1  0.689  0.500  0.833  1.0
  O  O21  1  0.311  0.000  0.333  1.0
  O  O22  1  0.181  0.276  0.070  1.0
  O  O23  1  0.181  0.724  0.070  1.0
  O  O24  1  0.819  0.224  0.570  1.0
  O  O25  1  0.819  0.776  0.570  1.0
  O  O26  1  0.447  0.276  0.930  1.0
  O  O27  1  0.447  0.724  0.930  1.0
  O  O28  1  0.553  0.224  0.430  1.0
  O  O29  1  0.553  0.776  0.430  1.0
  O  O30  1  0.991  0.500  0.705  1.0
  O  O31  1  0.009  0.000  0.205  1.0
  O  O32  1  0.201  0.500  0.299  1.0
  O  O33  1  0.799  0.000  0.799  1.0
  O  O34  1  0.786  0.257  0.287  1.0
  O  O35  1  0.786  0.743  0.287  1.0
  O  O36  1  0.214  0.243  0.787  1.0
  O  O37  1  0.214  0.757  0.787  1.0
  O  O38  1  0.429  0.245  0.214  1.0
  O  O39  1  0.429  0.755  0.214  1.0
  O  O40  1  0.571  0.255  0.714  1.0
  O  O41  1  0.571  0.745  0.714  1.0
[/CIF]
.