The compound described by In2AsSe is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. In(1) is bonded to two equivalent As(1) and two equivalent Se(1) atoms to form corner-sharing InAs2Se2 tetrahedra. As(1) is bonded to four equivalent In(1) atoms to form AsIn4 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra and corners with eight equivalent Se(1)In4 tetrahedra. Se(1) is bonded to four equivalent In(1) atoms to form SeIn4 tetrahedra that share corners with four equivalent Se(1)In4 tetrahedra and corners with eight equivalent As(1)In4 tetrahedra. is represented by the CIF file [CIF]
data_In2AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.553
_cell_length_b   4.553
_cell_length_c   6.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.014
_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
  In  In0  1  0.500  0.000  0.759  1.0
  In  In1  1  0.000  0.500  0.241  1.0
  As  As2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.000  0.000  0.500  1.0
[/CIF]
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The compound described by In2AsSe is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. In(1) is bonded to two equivalent As(1) and two equivalent Se(1) atoms to form corner-sharing InAs2Se2 tetrahedra. As(1) is bonded to four equivalent In(1) atoms to form AsIn4 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra and corners with eight equivalent Se(1)In4 tetrahedra. Se(1) is bonded to four equivalent In(1) atoms to form SeIn4 tetrahedra that share corners with four equivalent Se(1)In4 tetrahedra and corners with eight equivalent As(1)In4 tetrahedra. is represented by the CIF file [CIF]
data_In2AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.553
_cell_length_b   4.553
_cell_length_c   6.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.014
_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
  In  In0  1  0.500  0.000  0.759  1.0
  In  In1  1  0.000  0.500  0.241  1.0
  As  As2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.000  0.000  0.500  1.0
[/CIF]
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