The structure described by BaCu2Te2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), five equivalent Cu(2), three equivalent Te(1), and four equivalent Te(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Ba(1), one Te(1), and three equivalent Te(2) atoms to form distorted CuBa4Te4 tetrahedra that share corners with six equivalent Cu(1)Ba4Te4 tetrahedra, corners with eight equivalent Cu(2)Ba5Te4 tetrahedra, edges with two equivalent Cu(1)Ba4Te4 tetrahedra, faces with two equivalent Cu(1)Ba4Te4 tetrahedra, and faces with six equivalent Cu(2)Ba5Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to five equivalent Ba(1), one Te(2), and three equivalent Te(1) atoms to form distorted CuBa5Te4 tetrahedra that share corners with eight equivalent Cu(1)Ba4Te4 tetrahedra, corners with eight equivalent Cu(2)Ba5Te4 tetrahedra, edges with two equivalent Cu(2)Ba5Te4 tetrahedra, faces with four equivalent Cu(2)Ba5Te4 tetrahedra, and faces with six equivalent Cu(1)Ba4Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Cu(1), and three equivalent Cu(2) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1), one Cu(2), and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(CuTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.470
_cell_length_b   10.140
_cell_length_c   11.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.903
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.750  0.258  0.678  1.0
  Ba  Ba1  1  0.250  0.742  0.322  1.0
  Ba  Ba2  1  0.750  0.758  0.822  1.0
  Ba  Ba3  1  0.250  0.242  0.178  1.0
  Cu  Cu4  1  0.250  0.575  0.044  1.0
  Cu  Cu5  1  0.750  0.425  0.956  1.0
  Cu  Cu6  1  0.750  0.925  0.544  1.0
  Cu  Cu7  1  0.250  0.075  0.456  1.0
  Cu  Cu8  1  0.750  0.444  0.387  1.0
  Cu  Cu9  1  0.250  0.556  0.613  1.0
  Cu  Cu10  1  0.750  0.944  0.113  1.0
  Cu  Cu11  1  0.250  0.056  0.887  1.0
  Te  Te12  1  0.250  0.340  0.462  1.0
  Te  Te13  1  0.750  0.660  0.538  1.0
  Te  Te14  1  0.750  0.160  0.962  1.0
  Te  Te15  1  0.250  0.840  0.038  1.0
  Te  Te16  1  0.750  0.023  0.330  1.0
  Te  Te17  1  0.250  0.977  0.670  1.0
  Te  Te18  1  0.750  0.523  0.170  1.0
  Te  Te19  1  0.250  0.477  0.830  1.0
[/CIF]
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The structure described by BaCu2Te2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 16-coordinate geometry to four equivalent Cu(1), five equivalent Cu(2), three equivalent Te(1), and four equivalent Te(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Ba(1), one Te(1), and three equivalent Te(2) atoms to form distorted CuBa4Te4 tetrahedra that share corners with six equivalent Cu(1)Ba4Te4 tetrahedra, corners with eight equivalent Cu(2)Ba5Te4 tetrahedra, edges with two equivalent Cu(1)Ba4Te4 tetrahedra, faces with two equivalent Cu(1)Ba4Te4 tetrahedra, and faces with six equivalent Cu(2)Ba5Te4 tetrahedra. In the second Cu site, Cu(2) is bonded to five equivalent Ba(1), one Te(2), and three equivalent Te(1) atoms to form distorted CuBa5Te4 tetrahedra that share corners with eight equivalent Cu(1)Ba4Te4 tetrahedra, corners with eight equivalent Cu(2)Ba5Te4 tetrahedra, edges with two equivalent Cu(2)Ba5Te4 tetrahedra, faces with four equivalent Cu(2)Ba5Te4 tetrahedra, and faces with six equivalent Cu(1)Ba4Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Cu(1), and three equivalent Cu(2) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1), one Cu(2), and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(CuTe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.470
_cell_length_b   10.140
_cell_length_c   11.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.903
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.750  0.258  0.678  1.0
  Ba  Ba1  1  0.250  0.742  0.322  1.0
  Ba  Ba2  1  0.750  0.758  0.822  1.0
  Ba  Ba3  1  0.250  0.242  0.178  1.0
  Cu  Cu4  1  0.250  0.575  0.044  1.0
  Cu  Cu5  1  0.750  0.425  0.956  1.0
  Cu  Cu6  1  0.750  0.925  0.544  1.0
  Cu  Cu7  1  0.250  0.075  0.456  1.0
  Cu  Cu8  1  0.750  0.444  0.387  1.0
  Cu  Cu9  1  0.250  0.556  0.613  1.0
  Cu  Cu10  1  0.750  0.944  0.113  1.0
  Cu  Cu11  1  0.250  0.056  0.887  1.0
  Te  Te12  1  0.250  0.340  0.462  1.0
  Te  Te13  1  0.750  0.660  0.538  1.0
  Te  Te14  1  0.750  0.160  0.962  1.0
  Te  Te15  1  0.250  0.840  0.038  1.0
  Te  Te16  1  0.750  0.023  0.330  1.0
  Te  Te17  1  0.250  0.977  0.670  1.0
  Te  Te18  1  0.750  0.523  0.170  1.0
  Te  Te19  1  0.250  0.477  0.830  1.0
[/CIF]
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