The material described by U3As2Se is Heusler-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to six equivalent As(1) and two equivalent Se(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to five equivalent As(1) and three equivalent Se(1) atoms. As(1) is bonded in a body-centered cubic geometry to three equivalent U(1) and five equivalent U(2) atoms. Se(1) is bonded in a body-centered cubic geometry to two equivalent U(1) and six equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3As2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.971
_cell_length_b   4.971
_cell_length_c   6.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.771
_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  0.000  0.000  0.500  1.0
  U  U1  1  0.667  0.333  0.830  1.0
  U  U2  1  0.333  0.667  0.170  1.0
  As  As3  1  0.667  0.333  0.331  1.0
  As  As4  1  0.333  0.667  0.669  1.0
  Se  Se5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by U3As2Se is Heusler-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a body-centered cubic geometry to six equivalent As(1) and two equivalent Se(1) atoms. In the second U site, U(2) is bonded in a body-centered cubic geometry to five equivalent As(1) and three equivalent Se(1) atoms. As(1) is bonded in a body-centered cubic geometry to three equivalent U(1) and five equivalent U(2) atoms. Se(1) is bonded in a body-centered cubic geometry to two equivalent U(1) and six equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U3As2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.971
_cell_length_b   4.971
_cell_length_c   6.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   130.771
_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  0.000  0.000  0.500  1.0
  U  U1  1  0.667  0.333  0.830  1.0
  U  U2  1  0.333  0.667  0.170  1.0
  As  As3  1  0.667  0.333  0.331  1.0
  As  As4  1  0.333  0.667  0.669  1.0
  Se  Se5  1  0.000  0.000  0.000  1.0
[/CIF]
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