The material described by NaCu3Te2 crystallizes in the trigonal R-3m space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent Cu(2) and six equivalent Te(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to six equivalent Cu(2) and six equivalent Te(1) atoms to form face-sharing CuCu6Te6 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to one Na(1), three equivalent Cu(1), and four equivalent Te(1) atoms. Te(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCu3Te2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.279
_cell_length_b   8.279
_cell_length_c   8.279
_cell_angle_alpha   29.707
_cell_angle_beta   29.707
_cell_angle_gamma   29.707
_symmetry_Int_Tables_number   1
_cell_volume   123.373
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.634  0.634  0.634  1.0
  Cu  Cu3  1  0.366  0.366  0.366  1.0
  Te  Te4  1  0.254  0.254  0.254  1.0
  Te  Te5  1  0.746  0.746  0.746  1.0
[/CIF]
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The material described by NaCu3Te2 crystallizes in the trigonal R-3m space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent Cu(2) and six equivalent Te(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to six equivalent Cu(2) and six equivalent Te(1) atoms to form face-sharing CuCu6Te6 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to one Na(1), three equivalent Cu(1), and four equivalent Te(1) atoms. Te(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCu3Te2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.279
_cell_length_b   8.279
_cell_length_c   8.279
_cell_angle_alpha   29.707
_cell_angle_beta   29.707
_cell_angle_gamma   29.707
_symmetry_Int_Tables_number   1
_cell_volume   123.373
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.634  0.634  0.634  1.0
  Cu  Cu3  1  0.366  0.366  0.366  1.0
  Te  Te4  1  0.254  0.254  0.254  1.0
  Te  Te5  1  0.746  0.746  0.746  1.0
[/CIF]
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