The material described by FeIn(CuSe2)2 is Stannite structured and crystallizes in the tetragonal I-42m space group. Fe(1) is bonded to four equivalent Se(1) atoms to form FeSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one Fe(1), two equivalent Cu(1), and one In(1) atom to form corner-sharing SeInFeCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InFe(CuSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   6.983
_cell_length_c   6.983
_cell_angle_alpha   131.620
_cell_angle_beta   131.620
_cell_angle_gamma   70.830
_symmetry_Int_Tables_number   1
_cell_volume   186.411
_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  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.750  0.250  0.500  1.0
  Se  Se4  1  0.099  0.099  0.464  1.0
  Se  Se5  1  0.635  0.635  0.536  1.0
  Se  Se6  1  0.901  0.365  0.000  1.0
  Se  Se7  1  0.365  0.901  0.000  1.0
[/CIF]
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The material described by FeIn(CuSe2)2 is Stannite structured and crystallizes in the tetragonal I-42m space group. Fe(1) is bonded to four equivalent Se(1) atoms to form FeSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Fe(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one Fe(1), two equivalent Cu(1), and one In(1) atom to form corner-sharing SeInFeCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InFe(CuSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   6.983
_cell_length_c   6.983
_cell_angle_alpha   131.620
_cell_angle_beta   131.620
_cell_angle_gamma   70.830
_symmetry_Int_Tables_number   1
_cell_volume   186.411
_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  0.500  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.750  0.250  0.500  1.0
  Se  Se4  1  0.099  0.099  0.464  1.0
  Se  Se5  1  0.635  0.635  0.536  1.0
  Se  Se6  1  0.901  0.365  0.000  1.0
  Se  Se7  1  0.365  0.901  0.000  1.0
[/CIF]
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