The compound described by CeIn3(CuSe2)4 is Stannite-like structured and crystallizes in the tetragonal P-4 space group. Ce(1) is bonded to four equivalent Se(1) atoms to form CeSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(3)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with two equivalent Ce(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ce(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form InSe4 tetrahedra that share corners with two equivalent Ce(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra, and corners with four equivalent Cu(1)Se4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Se(2) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ce(1), one Cu(1), one Cu(3), and one In(1) atom to form SeCeInCu2 tetrahedra that share corners with four equivalent Se(2)In2Cu2 tetrahedra and corners with eight equivalent Se(1)CeInCu2 tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(2), one In(1), and one In(2) atom to form SeIn2Cu2 tetrahedra that share corners with four equivalent Se(1)CeInCu2 tetrahedra and corners with eight equivalent Se(2)In2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_CeIn3(CuSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.910
_cell_length_c   12.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.205
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.500  0.000  0.244  1.0
  In  In2  1  0.000  0.500  0.756  1.0
  In  In3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.247  1.0
  Cu  Cu5  1  0.500  0.000  0.753  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Se  Se8  1  0.735  0.292  0.365  1.0
  Se  Se9  1  0.249  0.783  0.878  1.0
  Se  Se10  1  0.265  0.708  0.365  1.0
  Se  Se11  1  0.751  0.217  0.878  1.0
  Se  Se12  1  0.217  0.249  0.122  1.0
  Se  Se13  1  0.708  0.735  0.635  1.0
  Se  Se14  1  0.783  0.751  0.122  1.0
  Se  Se15  1  0.292  0.265  0.635  1.0
[/CIF]
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The compound described by CeIn3(CuSe2)4 is Stannite-like structured and crystallizes in the tetragonal P-4 space group. Ce(1) is bonded to four equivalent Se(1) atoms to form CeSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(3)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with two equivalent Ce(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ce(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form InSe4 tetrahedra that share corners with two equivalent Ce(1)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra, and corners with four equivalent Cu(1)Se4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Se(2) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Ce(1), one Cu(1), one Cu(3), and one In(1) atom to form SeCeInCu2 tetrahedra that share corners with four equivalent Se(2)In2Cu2 tetrahedra and corners with eight equivalent Se(1)CeInCu2 tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(2), one In(1), and one In(2) atom to form SeIn2Cu2 tetrahedra that share corners with four equivalent Se(1)CeInCu2 tetrahedra and corners with eight equivalent Se(2)In2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_CeIn3(CuSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   5.910
_cell_length_c   12.004
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.205
_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
  Ce  Ce0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.500  0.000  0.244  1.0
  In  In2  1  0.000  0.500  0.756  1.0
  In  In3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.247  1.0
  Cu  Cu5  1  0.500  0.000  0.753  1.0
  Cu  Cu6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.500  0.500  0.500  1.0
  Se  Se8  1  0.735  0.292  0.365  1.0
  Se  Se9  1  0.249  0.783  0.878  1.0
  Se  Se10  1  0.265  0.708  0.365  1.0
  Se  Se11  1  0.751  0.217  0.878  1.0
  Se  Se12  1  0.217  0.249  0.122  1.0
  Se  Se13  1  0.708  0.735  0.635  1.0
  Se  Se14  1  0.783  0.751  0.122  1.0
  Se  Se15  1  0.292  0.265  0.635  1.0
[/CIF]
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