The structure described by U2Cu4As5 crystallizes in the tetragonal I4/mmm space group. U(1) is bonded to four equivalent Cu(1), four equivalent As(1), and four equivalent As(3) atoms to form distorted UCu4As8 cuboctahedra that share corners with four equivalent U(1)Cu4As8 cuboctahedra, corners with eight equivalent Cu(1)U2As4 tetrahedra, edges with four equivalent U(1)Cu4As8 cuboctahedra, edges with four equivalent Cu(1)U2As4 tetrahedra, and faces with four equivalent U(1)Cu4As8 cuboctahedra. Cu(1) is bonded to two equivalent U(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted CuU2As4 tetrahedra that share corners with four equivalent U(1)Cu4As8 cuboctahedra, corners with eight equivalent Cu(1)U2As4 tetrahedra, edges with two equivalent U(1)Cu4As8 cuboctahedra, edges with three equivalent Cu(1)U2As4 tetrahedra, and faces with four equivalent Cu(1)U2As4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Cu(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent As(3) atoms. is represented by the CIF card [CIF]
data_U2Cu4As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.476
_cell_length_b   12.476
_cell_length_c   12.476
_cell_angle_alpha   161.589
_cell_angle_beta   161.589
_cell_angle_gamma   26.152
_symmetry_Int_Tables_number   1
_cell_volume   193.636
_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  0.842  0.842  0.000  1.0
  U  U1  1  0.158  0.158  0.000  1.0
  Cu  Cu2  1  0.442  0.942  0.500  1.0
  Cu  Cu3  1  0.558  0.058  0.500  1.0
  Cu  Cu4  1  0.058  0.558  0.500  1.0
  Cu  Cu5  1  0.942  0.442  0.500  1.0
  As  As6  1  0.376  0.376  0.000  1.0
  As  As7  1  0.624  0.624  0.000  1.0
  As  As8  1  0.000  0.000  0.000  1.0
  As  As9  1  0.250  0.750  0.500  1.0
  As  As10  1  0.750  0.250  0.500  1.0
[/CIF]
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The structure described by U2Cu4As5 crystallizes in the tetragonal I4/mmm space group. U(1) is bonded to four equivalent Cu(1), four equivalent As(1), and four equivalent As(3) atoms to form distorted UCu4As8 cuboctahedra that share corners with four equivalent U(1)Cu4As8 cuboctahedra, corners with eight equivalent Cu(1)U2As4 tetrahedra, edges with four equivalent U(1)Cu4As8 cuboctahedra, edges with four equivalent Cu(1)U2As4 tetrahedra, and faces with four equivalent U(1)Cu4As8 cuboctahedra. Cu(1) is bonded to two equivalent U(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted CuU2As4 tetrahedra that share corners with four equivalent U(1)Cu4As8 cuboctahedra, corners with eight equivalent Cu(1)U2As4 tetrahedra, edges with two equivalent U(1)Cu4As8 cuboctahedra, edges with three equivalent Cu(1)U2As4 tetrahedra, and faces with four equivalent Cu(1)U2As4 tetrahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent Cu(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to eight equivalent Cu(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to four equivalent U(1) and four equivalent As(3) atoms. is represented by the CIF card [CIF]
data_U2Cu4As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.476
_cell_length_b   12.476
_cell_length_c   12.476
_cell_angle_alpha   161.589
_cell_angle_beta   161.589
_cell_angle_gamma   26.152
_symmetry_Int_Tables_number   1
_cell_volume   193.636
_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  0.842  0.842  0.000  1.0
  U  U1  1  0.158  0.158  0.000  1.0
  Cu  Cu2  1  0.442  0.942  0.500  1.0
  Cu  Cu3  1  0.558  0.058  0.500  1.0
  Cu  Cu4  1  0.058  0.558  0.500  1.0
  Cu  Cu5  1  0.942  0.442  0.500  1.0
  As  As6  1  0.376  0.376  0.000  1.0
  As  As7  1  0.624  0.624  0.000  1.0
  As  As8  1  0.000  0.000  0.000  1.0
  As  As9  1  0.250  0.750  0.500  1.0
  As  As10  1  0.750  0.250  0.500  1.0
[/CIF]
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