The structure described by Na3AlTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one Al(1), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent Al(1), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to two equivalent Te(2) and two equivalent Te(3) atoms. Al(1) is bonded to one Na(1), two equivalent Na(2), one Te(2), one Te(3), and two equivalent Te(1) atoms to form distorted face-sharing AlNa3Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Al(1) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_Na3AlTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.755
_cell_length_b   8.044
_cell_length_c   16.142
_cell_angle_alpha   60.526
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   876.599
_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
  Na  Na0  1  0.020  0.947  0.278  1.0
  Na  Na1  1  0.520  0.053  0.222  1.0
  Na  Na2  1  0.980  0.053  0.722  1.0
  Na  Na3  1  0.480  0.947  0.778  1.0
  Na  Na4  1  0.003  0.723  0.104  1.0
  Na  Na5  1  0.503  0.277  0.396  1.0
  Na  Na6  1  0.997  0.277  0.896  1.0
  Na  Na7  1  0.497  0.723  0.604  1.0
  Na  Na8  1  0.001  0.318  0.399  1.0
  Na  Na9  1  0.501  0.682  0.101  1.0
  Na  Na10  1  0.999  0.682  0.601  1.0
  Na  Na11  1  0.499  0.318  0.899  1.0
  Al  Al12  1  0.642  0.665  0.418  1.0
  Al  Al13  1  0.142  0.335  0.082  1.0
  Al  Al14  1  0.358  0.335  0.582  1.0
  Al  Al15  1  0.858  0.665  0.918  1.0
  Te  Te16  1  0.796  0.343  0.075  1.0
  Te  Te17  1  0.296  0.657  0.425  1.0
  Te  Te18  1  0.204  0.657  0.925  1.0
  Te  Te19  1  0.704  0.343  0.575  1.0
  Te  Te20  1  0.244  0.344  0.232  1.0
  Te  Te21  1  0.744  0.656  0.268  1.0
  Te  Te22  1  0.756  0.656  0.768  1.0
  Te  Te23  1  0.256  0.344  0.732  1.0
  Te  Te24  1  0.759  0.957  0.426  1.0
  Te  Te25  1  0.259  0.043  0.074  1.0
  Te  Te26  1  0.241  0.043  0.574  1.0
  Te  Te27  1  0.741  0.957  0.926  1.0
[/CIF]
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The structure described by Na3AlTe3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one Al(1), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent Al(1), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to two equivalent Te(2) and two equivalent Te(3) atoms. Al(1) is bonded to one Na(1), two equivalent Na(2), one Te(2), one Te(3), and two equivalent Te(1) atoms to form distorted face-sharing AlNa3Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and two equivalent Al(1) atoms. In the second Te site, Te(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_Na3AlTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.755
_cell_length_b   8.044
_cell_length_c   16.142
_cell_angle_alpha   60.526
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   876.599
_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
  Na  Na0  1  0.020  0.947  0.278  1.0
  Na  Na1  1  0.520  0.053  0.222  1.0
  Na  Na2  1  0.980  0.053  0.722  1.0
  Na  Na3  1  0.480  0.947  0.778  1.0
  Na  Na4  1  0.003  0.723  0.104  1.0
  Na  Na5  1  0.503  0.277  0.396  1.0
  Na  Na6  1  0.997  0.277  0.896  1.0
  Na  Na7  1  0.497  0.723  0.604  1.0
  Na  Na8  1  0.001  0.318  0.399  1.0
  Na  Na9  1  0.501  0.682  0.101  1.0
  Na  Na10  1  0.999  0.682  0.601  1.0
  Na  Na11  1  0.499  0.318  0.899  1.0
  Al  Al12  1  0.642  0.665  0.418  1.0
  Al  Al13  1  0.142  0.335  0.082  1.0
  Al  Al14  1  0.358  0.335  0.582  1.0
  Al  Al15  1  0.858  0.665  0.918  1.0
  Te  Te16  1  0.796  0.343  0.075  1.0
  Te  Te17  1  0.296  0.657  0.425  1.0
  Te  Te18  1  0.204  0.657  0.925  1.0
  Te  Te19  1  0.704  0.343  0.575  1.0
  Te  Te20  1  0.244  0.344  0.232  1.0
  Te  Te21  1  0.744  0.656  0.268  1.0
  Te  Te22  1  0.756  0.656  0.768  1.0
  Te  Te23  1  0.256  0.344  0.732  1.0
  Te  Te24  1  0.759  0.957  0.426  1.0
  Te  Te25  1  0.259  0.043  0.074  1.0
  Te  Te26  1  0.241  0.043  0.574  1.0
  Te  Te27  1  0.741  0.957  0.926  1.0
[/CIF]
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