The structure described by U2Cu2As3O crystallizes in the tetragonal P4/nmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to four equivalent As(2) and four equivalent As(3) atoms. In the second U site, U(2) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Cu(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing CuAs4 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(2) and four equivalent Cu(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent U(1) and four 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. O(1) is bonded to four equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. is represented by the CIF file [CIF]
data_U2Cu2As3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   3.909
_cell_length_c   17.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   274.740
_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  0.500  0.000  0.626  1.0
  U  U1  1  0.500  0.000  0.070  1.0
  U  U2  1  0.000  0.500  0.930  1.0
  U  U3  1  0.000  0.500  0.374  1.0
  Cu  Cu4  1  0.000  0.000  0.769  1.0
  Cu  Cu5  1  0.500  0.500  0.769  1.0
  Cu  Cu6  1  0.000  0.000  0.231  1.0
  Cu  Cu7  1  0.500  0.500  0.231  1.0
  As  As8  1  0.000  0.500  0.149  1.0
  As  As9  1  0.000  0.500  0.677  1.0
  As  As10  1  0.500  0.000  0.323  1.0
  As  As11  1  0.500  0.000  0.851  1.0
  As  As12  1  0.500  0.500  0.500  1.0
  As  As13  1  0.000  0.000  0.500  1.0
  O  O14  1  0.500  0.500  0.000  1.0
  O  O15  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by U2Cu2As3O crystallizes in the tetragonal P4/nmm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to four equivalent As(2) and four equivalent As(3) atoms. In the second U site, U(2) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Cu(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing CuAs4 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(2) and four equivalent Cu(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent U(1) and four 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. O(1) is bonded to four equivalent U(2) atoms to form a mixture of corner and edge-sharing OU4 tetrahedra. is represented by the CIF file [CIF]
data_U2Cu2As3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.909
_cell_length_b   3.909
_cell_length_c   17.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   274.740
_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  0.500  0.000  0.626  1.0
  U  U1  1  0.500  0.000  0.070  1.0
  U  U2  1  0.000  0.500  0.930  1.0
  U  U3  1  0.000  0.500  0.374  1.0
  Cu  Cu4  1  0.000  0.000  0.769  1.0
  Cu  Cu5  1  0.500  0.500  0.769  1.0
  Cu  Cu6  1  0.000  0.000  0.231  1.0
  Cu  Cu7  1  0.500  0.500  0.231  1.0
  As  As8  1  0.000  0.500  0.149  1.0
  As  As9  1  0.000  0.500  0.677  1.0
  As  As10  1  0.500  0.000  0.323  1.0
  As  As11  1  0.500  0.000  0.851  1.0
  As  As12  1  0.500  0.500  0.500  1.0
  As  As13  1  0.000  0.000  0.500  1.0
  O  O14  1  0.500  0.500  0.000  1.0
  O  O15  1  0.000  0.000  0.000  1.0
[/CIF]
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