The material structure described by BaTe3 is Barium trisulfide structured and crystallizes in the tetragonal P-42_1m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Te(2) and eight equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Te(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Te(1) atoms. is represented by the CIF file [CIF]
data_BaTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.486
_cell_length_b   8.077
_cell_length_c   8.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.646
_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  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.493  0.801  0.301  1.0
  Te  Te3  1  0.507  0.301  0.199  1.0
  Te  Te4  1  0.128  0.000  0.500  1.0
  Te  Te5  1  0.872  0.500  0.000  1.0
  Te  Te6  1  0.493  0.199  0.699  1.0
  Te  Te7  1  0.507  0.699  0.801  1.0
[/CIF]
.
The material structure described by BaTe3 is Barium trisulfide structured and crystallizes in the tetragonal P-42_1m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Te(2) and eight equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Te(2) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Te(1) atoms. is represented by the CIF file [CIF]
data_BaTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.486
_cell_length_b   8.077
_cell_length_c   8.077
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.646
_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  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.493  0.801  0.301  1.0
  Te  Te3  1  0.507  0.301  0.199  1.0
  Te  Te4  1  0.128  0.000  0.500  1.0
  Te  Te5  1  0.872  0.500  0.000  1.0
  Te  Te6  1  0.493  0.199  0.699  1.0
  Te  Te7  1  0.507  0.699  0.801  1.0
[/CIF]
.