The material described by NaBa6Cu3Te14 crystallizes in the hexagonal P6_3/mcm space group. Na(1) is bonded to six equivalent Cu(1) and six equivalent Te(1) atoms to form NaCu6Te6 cuboctahedra that share edges with six equivalent Cu(1)Ba2Na2Te4 tetrahedra and faces with two equivalent Na(1)Cu6Te6 cuboctahedra. Ba(1) is bonded in a 10-coordinate geometry to one Cu(1), one Te(1), two equivalent Te(2), two equivalent Te(4), and four equivalent Te(3) atoms. Cu(1) is bonded to two equivalent Na(1), two equivalent Ba(1), two equivalent Te(1), and two equivalent Te(3) atoms to form distorted CuBa2Na2Te4 tetrahedra that share corners with four equivalent Te(2)Ba6 pentagonal pyramids, corners with six equivalent Cu(1)Ba2Na2Te4 tetrahedra, edges with two equivalent Na(1)Cu6Te6 cuboctahedra, and faces with two equivalent Cu(1)Ba2Na2Te4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), two equivalent Cu(1), and two equivalent Te(3) atoms. In the second Te site, Te(2) is bonded to six equivalent Ba(1) atoms to form distorted TeBa6 pentagonal pyramids that share corners with six equivalent Cu(1)Ba2Na2Te4 tetrahedra and faces with two equivalent Te(2)Ba6 pentagonal pyramids. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to four equivalent Ba(1), one Cu(1), one Te(1), and one Te(4) atom. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Te(3) atoms. is represented by the CIF card [CIF]
data_Ba6NaCu3Te14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.328
_cell_length_b   14.328
_cell_length_c   9.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1624.294
_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
  Ba  Ba0  1  0.244  0.792  0.250  1.0
  Ba  Ba1  1  0.451  0.244  0.750  1.0
  Ba  Ba2  1  0.549  0.792  0.750  1.0
  Ba  Ba3  1  0.792  0.549  0.750  1.0
  Ba  Ba4  1  0.756  0.549  0.250  1.0
  Ba  Ba5  1  0.244  0.451  0.750  1.0
  Ba  Ba6  1  0.792  0.244  0.250  1.0
  Ba  Ba7  1  0.756  0.208  0.750  1.0
  Ba  Ba8  1  0.208  0.451  0.250  1.0
  Ba  Ba9  1  0.208  0.756  0.750  1.0
  Ba  Ba10  1  0.549  0.756  0.250  1.0
  Ba  Ba11  1  0.451  0.208  0.250  1.0
  Na  Na12  1  0.000  0.000  0.500  1.0
  Na  Na13  1  0.000  0.000  0.000  1.0
  Cu  Cu14  1  0.808  0.000  0.250  1.0
  Cu  Cu15  1  0.808  0.808  0.750  1.0
  Cu  Cu16  1  0.000  0.808  0.250  1.0
  Cu  Cu17  1  0.192  0.000  0.750  1.0
  Cu  Cu18  1  0.192  0.192  0.250  1.0
  Cu  Cu19  1  0.000  0.192  0.750  1.0
  Te  Te20  1  0.172  0.000  0.250  1.0
  Te  Te21  1  0.333  0.667  0.000  1.0
  Te  Te22  1  0.000  0.318  0.526  1.0
  Te  Te23  1  0.828  0.000  0.750  1.0
  Te  Te24  1  0.682  0.682  0.974  1.0
  Te  Te25  1  0.318  0.000  0.974  1.0
  Te  Te26  1  0.000  0.172  0.250  1.0
  Te  Te27  1  0.000  0.682  0.474  1.0
  Te  Te28  1  0.000  0.682  0.026  1.0
  Te  Te29  1  0.000  0.468  0.750  1.0
  Te  Te30  1  0.318  0.318  0.026  1.0
  Te  Te31  1  0.828  0.828  0.250  1.0
  Te  Te32  1  0.468  0.000  0.750  1.0
  Te  Te33  1  0.682  0.000  0.026  1.0
  Te  Te34  1  0.667  0.333  0.500  1.0
  Te  Te35  1  0.667  0.333  0.000  1.0
  Te  Te36  1  0.682  0.000  0.474  1.0
  Te  Te37  1  0.532  0.532  0.750  1.0
  Te  Te38  1  0.468  0.468  0.250  1.0
  Te  Te39  1  0.318  0.000  0.526  1.0
  Te  Te40  1  0.682  0.682  0.526  1.0
  Te  Te41  1  0.000  0.318  0.974  1.0
  Te  Te42  1  0.333  0.667  0.500  1.0
  Te  Te43  1  0.318  0.318  0.474  1.0
  Te  Te44  1  0.000  0.532  0.250  1.0
  Te  Te45  1  0.532  0.000  0.250  1.0
  Te  Te46  1  0.000  0.828  0.750  1.0
  Te  Te47  1  0.172  0.172  0.750  1.0
[/CIF]
.
The material described by NaBa6Cu3Te14 crystallizes in the hexagonal P6_3/mcm space group. Na(1) is bonded to six equivalent Cu(1) and six equivalent Te(1) atoms to form NaCu6Te6 cuboctahedra that share edges with six equivalent Cu(1)Ba2Na2Te4 tetrahedra and faces with two equivalent Na(1)Cu6Te6 cuboctahedra. Ba(1) is bonded in a 10-coordinate geometry to one Cu(1), one Te(1), two equivalent Te(2), two equivalent Te(4), and four equivalent Te(3) atoms. Cu(1) is bonded to two equivalent Na(1), two equivalent Ba(1), two equivalent Te(1), and two equivalent Te(3) atoms to form distorted CuBa2Na2Te4 tetrahedra that share corners with four equivalent Te(2)Ba6 pentagonal pyramids, corners with six equivalent Cu(1)Ba2Na2Te4 tetrahedra, edges with two equivalent Na(1)Cu6Te6 cuboctahedra, and faces with two equivalent Cu(1)Ba2Na2Te4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), two equivalent Cu(1), and two equivalent Te(3) atoms. In the second Te site, Te(2) is bonded to six equivalent Ba(1) atoms to form distorted TeBa6 pentagonal pyramids that share corners with six equivalent Cu(1)Ba2Na2Te4 tetrahedra and faces with two equivalent Te(2)Ba6 pentagonal pyramids. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to four equivalent Ba(1), one Cu(1), one Te(1), and one Te(4) atom. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Te(3) atoms. is represented by the CIF card [CIF]
data_Ba6NaCu3Te14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.328
_cell_length_b   14.328
_cell_length_c   9.136
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1624.294
_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
  Ba  Ba0  1  0.244  0.792  0.250  1.0
  Ba  Ba1  1  0.451  0.244  0.750  1.0
  Ba  Ba2  1  0.549  0.792  0.750  1.0
  Ba  Ba3  1  0.792  0.549  0.750  1.0
  Ba  Ba4  1  0.756  0.549  0.250  1.0
  Ba  Ba5  1  0.244  0.451  0.750  1.0
  Ba  Ba6  1  0.792  0.244  0.250  1.0
  Ba  Ba7  1  0.756  0.208  0.750  1.0
  Ba  Ba8  1  0.208  0.451  0.250  1.0
  Ba  Ba9  1  0.208  0.756  0.750  1.0
  Ba  Ba10  1  0.549  0.756  0.250  1.0
  Ba  Ba11  1  0.451  0.208  0.250  1.0
  Na  Na12  1  0.000  0.000  0.500  1.0
  Na  Na13  1  0.000  0.000  0.000  1.0
  Cu  Cu14  1  0.808  0.000  0.250  1.0
  Cu  Cu15  1  0.808  0.808  0.750  1.0
  Cu  Cu16  1  0.000  0.808  0.250  1.0
  Cu  Cu17  1  0.192  0.000  0.750  1.0
  Cu  Cu18  1  0.192  0.192  0.250  1.0
  Cu  Cu19  1  0.000  0.192  0.750  1.0
  Te  Te20  1  0.172  0.000  0.250  1.0
  Te  Te21  1  0.333  0.667  0.000  1.0
  Te  Te22  1  0.000  0.318  0.526  1.0
  Te  Te23  1  0.828  0.000  0.750  1.0
  Te  Te24  1  0.682  0.682  0.974  1.0
  Te  Te25  1  0.318  0.000  0.974  1.0
  Te  Te26  1  0.000  0.172  0.250  1.0
  Te  Te27  1  0.000  0.682  0.474  1.0
  Te  Te28  1  0.000  0.682  0.026  1.0
  Te  Te29  1  0.000  0.468  0.750  1.0
  Te  Te30  1  0.318  0.318  0.026  1.0
  Te  Te31  1  0.828  0.828  0.250  1.0
  Te  Te32  1  0.468  0.000  0.750  1.0
  Te  Te33  1  0.682  0.000  0.026  1.0
  Te  Te34  1  0.667  0.333  0.500  1.0
  Te  Te35  1  0.667  0.333  0.000  1.0
  Te  Te36  1  0.682  0.000  0.474  1.0
  Te  Te37  1  0.532  0.532  0.750  1.0
  Te  Te38  1  0.468  0.468  0.250  1.0
  Te  Te39  1  0.318  0.000  0.526  1.0
  Te  Te40  1  0.682  0.682  0.526  1.0
  Te  Te41  1  0.000  0.318  0.974  1.0
  Te  Te42  1  0.333  0.667  0.500  1.0
  Te  Te43  1  0.318  0.318  0.474  1.0
  Te  Te44  1  0.000  0.532  0.250  1.0
  Te  Te45  1  0.532  0.000  0.250  1.0
  Te  Te46  1  0.000  0.828  0.750  1.0
  Te  Te47  1  0.172  0.172  0.750  1.0
[/CIF]
.