data_Ba2BTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BTe
_chemical_formula_sum   'Ba2 B1 Te1'
_cell_volume   160.18
_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
  Ba  Ba1  1  0.42  0.42  0.99  1.0
  Ba  Ba2  1  0.0  0.0  0.65  1.0
  B  B0  1  0.0  0.0  0.9  1.0
  Te  Te3  1  0.42  0.42  0.56  1.0

data_Ba2BTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2BTe
_chemical_formula_sum   'Ba4 B2 Te2'
_cell_volume   320.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.65  1.0
  Ba  Ba1  2  0.42  0.0  0.99  1.0
  B  B2  2  0.0  0.0  0.9  1.0
  Te  Te3  2  0.42  0.0  0.56  1.0

Ba Ba B Te
Ba2BTe crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent B(1) and two equivalent Te(1) atoms to form distorted corner-sharing BaB3Te2 square pyramids. There is one shorter (2.93 Å) and two longer (3.52 Å) Ba(1)-B(1) bond lengths. There is one shorter (2.93 Å) and one longer (3.92 Å) Ba(1)-Te(1) bond length. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one B(1) and four equivalent Te(1) atoms. The Ba(2)-B(1) bond length is 1.71 Å. There are a spread of Ba(2)-Te(1) bond distances ranging from 2.93-4.02 Å. B(1) is bonded in a distorted single-bond geometry to one Ba(2) and three equivalent Ba(1) atoms. Te(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Ba(2) atoms.