The material structure described by U2As3Se crystallizes in the tetragonal P4mm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one As(2), four equivalent As(1), and four equivalent Se(1) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to four equivalent As(1), four equivalent As(2), and one Se(1) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent U(1), two equivalent U(2), and four equivalent As(1) atoms. In the second As site, As(2) is bonded to one U(1) and four equivalent U(2) atoms to form distorted AsU5 trigonal bipyramids that share corners with four equivalent As(2)U5 trigonal bipyramids, edges with four equivalent As(2)U5 trigonal bipyramids, and edges with four equivalent Se(1)U5 trigonal bipyramids. Se(1) is bonded to one U(2) and four equivalent U(1) atoms to form distorted SeU5 trigonal bipyramids that share corners with four equivalent Se(1)U5 trigonal bipyramids, edges with four equivalent As(2)U5 trigonal bipyramids, and edges with four equivalent Se(1)U5 trigonal bipyramids. is represented by the CIF file [CIF]
data_U2As3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   3.974
_cell_length_c   8.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.308
_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  0.500  0.500  0.726  1.0
  U  U1  1  0.000  0.000  0.276  1.0
  As  As2  1  0.500  0.000  0.000  1.0
  As  As3  1  0.000  0.500  0.000  1.0
  As  As4  1  0.500  0.500  0.365  1.0
  Se  Se5  1  0.000  0.000  0.631  1.0
[/CIF]
.
The material structure described by U2As3Se crystallizes in the tetragonal P4mm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one As(2), four equivalent As(1), and four equivalent Se(1) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to four equivalent As(1), four equivalent As(2), and one Se(1) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent U(1), two equivalent U(2), and four equivalent As(1) atoms. In the second As site, As(2) is bonded to one U(1) and four equivalent U(2) atoms to form distorted AsU5 trigonal bipyramids that share corners with four equivalent As(2)U5 trigonal bipyramids, edges with four equivalent As(2)U5 trigonal bipyramids, and edges with four equivalent Se(1)U5 trigonal bipyramids. Se(1) is bonded to one U(2) and four equivalent U(1) atoms to form distorted SeU5 trigonal bipyramids that share corners with four equivalent Se(1)U5 trigonal bipyramids, edges with four equivalent As(2)U5 trigonal bipyramids, and edges with four equivalent Se(1)U5 trigonal bipyramids. is represented by the CIF file [CIF]
data_U2As3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.974
_cell_length_b   3.974
_cell_length_c   8.505
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.308
_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  0.500  0.500  0.726  1.0
  U  U1  1  0.000  0.000  0.276  1.0
  As  As2  1  0.500  0.000  0.000  1.0
  As  As3  1  0.000  0.500  0.000  1.0
  As  As4  1  0.500  0.500  0.365  1.0
  Se  Se5  1  0.000  0.000  0.631  1.0
[/CIF]
.