The crystal structure described by KCeCuTe4 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to four equivalent Cu(1), four equivalent Te(1), and four equivalent Te(2) atoms to form distorted KCu4Te8 cuboctahedra that share corners with four equivalent K(1)Cu4Te8 cuboctahedra, corners with eight equivalent Cu(1)K4Te4 tetrahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent K(1)Cu4Te8 cuboctahedra. Ce(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Te(3) atoms. Cu(1) is bonded to four equivalent K(1) and four equivalent Te(2) atoms to form distorted CuK4Te4 tetrahedra that share corners with eight equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent Cu(1)K4Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ce(1), and four equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded to five equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. is represented by the CIF file [CIF]
data_KCeCuTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.457
_cell_length_b   4.457
_cell_length_c   21.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.281
_cell_formula_units_Z   2
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
  K  K0  1  0.000  0.500  0.143  1.0
  K  K1  1  0.500  0.000  0.857  1.0
  Ce  Ce2  1  0.500  0.000  0.400  1.0
  Ce  Ce3  1  0.000  0.500  0.600  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Te  Te6  1  0.500  0.500  0.716  1.0
  Te  Te7  1  0.000  0.500  0.930  1.0
  Te  Te8  1  0.000  0.000  0.284  1.0
  Te  Te9  1  0.500  0.000  0.557  1.0
  Te  Te10  1  0.000  0.500  0.443  1.0
  Te  Te11  1  0.000  0.000  0.716  1.0
  Te  Te12  1  0.500  0.500  0.284  1.0
  Te  Te13  1  0.500  0.000  0.070  1.0
[/CIF]
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The crystal structure described by KCeCuTe4 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to four equivalent Cu(1), four equivalent Te(1), and four equivalent Te(2) atoms to form distorted KCu4Te8 cuboctahedra that share corners with four equivalent K(1)Cu4Te8 cuboctahedra, corners with eight equivalent Cu(1)K4Te4 tetrahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent K(1)Cu4Te8 cuboctahedra. Ce(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Te(3) atoms. Cu(1) is bonded to four equivalent K(1) and four equivalent Te(2) atoms to form distorted CuK4Te4 tetrahedra that share corners with eight equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent Cu(1)K4Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Ce(1), and four equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded to five equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. is represented by the CIF file [CIF]
data_KCeCuTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.457
_cell_length_b   4.457
_cell_length_c   21.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.281
_cell_formula_units_Z   2
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
  K  K0  1  0.000  0.500  0.143  1.0
  K  K1  1  0.500  0.000  0.857  1.0
  Ce  Ce2  1  0.500  0.000  0.400  1.0
  Ce  Ce3  1  0.000  0.500  0.600  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Te  Te6  1  0.500  0.500  0.716  1.0
  Te  Te7  1  0.000  0.500  0.930  1.0
  Te  Te8  1  0.000  0.000  0.284  1.0
  Te  Te9  1  0.500  0.000  0.557  1.0
  Te  Te10  1  0.000  0.500  0.443  1.0
  Te  Te11  1  0.000  0.000  0.716  1.0
  Te  Te12  1  0.500  0.500  0.284  1.0
  Te  Te13  1  0.500  0.000  0.070  1.0
[/CIF]
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