The material structure described by U3Cu2S7 crystallizes in the hexagonal P6_3 space group. U(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to three equivalent U(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent U(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Cu(2) atom. is represented by the CIF file [CIF]
data_U3Cu2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.760
_cell_length_b   9.760
_cell_length_c   5.741
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   473.620
_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  0.230  0.849  0.033  1.0
  U  U1  1  0.151  0.380  0.033  1.0
  U  U2  1  0.849  0.620  0.533  1.0
  U  U3  1  0.620  0.770  0.033  1.0
  U  U4  1  0.770  0.151  0.533  1.0
  U  U5  1  0.381  0.230  0.533  1.0
  Cu  Cu6  1  0.667  0.334  0.147  1.0
  Cu  Cu7  1  0.333  0.666  0.647  1.0
  Cu  Cu8  1  0.000  1.000  0.495  1.0
  Cu  Cu9  1  0.000  0.000  0.995  1.0
  S  S10  1  0.667  0.333  0.753  1.0
  S  S11  1  0.569  0.484  0.285  1.0
  S  S12  1  0.151  0.893  0.512  1.0
  S  S13  1  0.516  0.085  0.285  1.0
  S  S14  1  0.431  0.516  0.785  1.0
  S  S15  1  0.484  0.915  0.785  1.0
  S  S16  1  0.849  0.107  0.012  1.0
  S  S17  1  0.085  0.569  0.785  1.0
  S  S18  1  0.742  0.849  0.512  1.0
  S  S19  1  0.333  0.667  0.253  1.0
  S  S20  1  0.915  0.431  0.285  1.0
  S  S21  1  0.258  0.151  0.012  1.0
  S  S22  1  0.107  0.258  0.512  1.0
  S  S23  1  0.893  0.742  0.012  1.0
[/CIF]
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The material structure described by U3Cu2S7 crystallizes in the hexagonal P6_3 space group. U(1) is bonded in a 8-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to one S(1) and three equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to three equivalent U(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent U(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to four equivalent U(1) and one Cu(2) atom. is represented by the CIF file [CIF]
data_U3Cu2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.760
_cell_length_b   9.760
_cell_length_c   5.741
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   473.620
_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  0.230  0.849  0.033  1.0
  U  U1  1  0.151  0.380  0.033  1.0
  U  U2  1  0.849  0.620  0.533  1.0
  U  U3  1  0.620  0.770  0.033  1.0
  U  U4  1  0.770  0.151  0.533  1.0
  U  U5  1  0.381  0.230  0.533  1.0
  Cu  Cu6  1  0.667  0.334  0.147  1.0
  Cu  Cu7  1  0.333  0.666  0.647  1.0
  Cu  Cu8  1  0.000  1.000  0.495  1.0
  Cu  Cu9  1  0.000  0.000  0.995  1.0
  S  S10  1  0.667  0.333  0.753  1.0
  S  S11  1  0.569  0.484  0.285  1.0
  S  S12  1  0.151  0.893  0.512  1.0
  S  S13  1  0.516  0.085  0.285  1.0
  S  S14  1  0.431  0.516  0.785  1.0
  S  S15  1  0.484  0.915  0.785  1.0
  S  S16  1  0.849  0.107  0.012  1.0
  S  S17  1  0.085  0.569  0.785  1.0
  S  S18  1  0.742  0.849  0.512  1.0
  S  S19  1  0.333  0.667  0.253  1.0
  S  S20  1  0.915  0.431  0.285  1.0
  S  S21  1  0.258  0.151  0.012  1.0
  S  S22  1  0.107  0.258  0.512  1.0
  S  S23  1  0.893  0.742  0.012  1.0
[/CIF]
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