The crystal structure described by Ba(AlTe2)2 crystallizes in the tetragonal P4/nbm space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent Te(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Te(1) atoms to form edge-sharing AlTe4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent Te(1) atoms to form edge-sharing AlTe4 tetrahedra. Te(1) is bonded to two equivalent Ba(1), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing TeBa2Al2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(AlTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.742
_cell_length_b   8.687
_cell_length_c   8.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   508.796
_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  0.000  0.750  0.750  1.0
  Ba  Ba1  1  0.000  0.250  0.250  1.0
  Al  Al2  1  0.500  0.250  0.750  1.0
  Al  Al3  1  0.500  0.750  0.250  1.0
  Al  Al4  1  0.000  0.750  0.250  1.0
  Al  Al5  1  0.000  0.250  0.750  1.0
  Te  Te6  1  0.251  0.085  0.915  1.0
  Te  Te7  1  0.251  0.415  0.585  1.0
  Te  Te8  1  0.749  0.915  0.085  1.0
  Te  Te9  1  0.749  0.415  0.915  1.0
  Te  Te10  1  0.749  0.085  0.585  1.0
  Te  Te11  1  0.749  0.585  0.415  1.0
  Te  Te12  1  0.251  0.915  0.415  1.0
  Te  Te13  1  0.251  0.585  0.085  1.0
[/CIF]
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The crystal structure described by Ba(AlTe2)2 crystallizes in the tetragonal P4/nbm space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent Te(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Te(1) atoms to form edge-sharing AlTe4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent Te(1) atoms to form edge-sharing AlTe4 tetrahedra. Te(1) is bonded to two equivalent Ba(1), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing TeBa2Al2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(AlTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.742
_cell_length_b   8.687
_cell_length_c   8.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   508.796
_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  0.000  0.750  0.750  1.0
  Ba  Ba1  1  0.000  0.250  0.250  1.0
  Al  Al2  1  0.500  0.250  0.750  1.0
  Al  Al3  1  0.500  0.750  0.250  1.0
  Al  Al4  1  0.000  0.750  0.250  1.0
  Al  Al5  1  0.000  0.250  0.750  1.0
  Te  Te6  1  0.251  0.085  0.915  1.0
  Te  Te7  1  0.251  0.415  0.585  1.0
  Te  Te8  1  0.749  0.915  0.085  1.0
  Te  Te9  1  0.749  0.415  0.915  1.0
  Te  Te10  1  0.749  0.085  0.585  1.0
  Te  Te11  1  0.749  0.585  0.415  1.0
  Te  Te12  1  0.251  0.915  0.415  1.0
  Te  Te13  1  0.251  0.585  0.085  1.0
[/CIF]
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