The structure described by BaBSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a 10-coordinate geometry to six equivalent B(1) and four equivalent Si(1) atoms. B(1) is bonded to six equivalent Ba(1) atoms to form BBa6 octahedra that share corners with six equivalent B(1)Ba6 octahedra, corners with twelve equivalent Si(1)Ba4 tetrahedra, edges with twelve equivalent B(1)Ba6 octahedra, and faces with four equivalent Si(1)Ba4 tetrahedra. The corner-sharing octahedra are not tilted. Si(1) is bonded to four equivalent Ba(1) atoms to form SiBa4 tetrahedra that share corners with twelve equivalent B(1)Ba6 octahedra, corners with twelve equivalent Si(1)Ba4 tetrahedra, and faces with four equivalent B(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF file [CIF]
data_BaSiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   4.813
_cell_length_c   4.813
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.834
_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  Ba0  1  0.500  0.500  0.500  1.0
  Si  Si1  1  0.750  0.750  0.750  1.0
  B  B2  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by BaBSi is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded in a 10-coordinate geometry to six equivalent B(1) and four equivalent Si(1) atoms. B(1) is bonded to six equivalent Ba(1) atoms to form BBa6 octahedra that share corners with six equivalent B(1)Ba6 octahedra, corners with twelve equivalent Si(1)Ba4 tetrahedra, edges with twelve equivalent B(1)Ba6 octahedra, and faces with four equivalent Si(1)Ba4 tetrahedra. The corner-sharing octahedra are not tilted. Si(1) is bonded to four equivalent Ba(1) atoms to form SiBa4 tetrahedra that share corners with twelve equivalent B(1)Ba6 octahedra, corners with twelve equivalent Si(1)Ba4 tetrahedra, and faces with four equivalent B(1)Ba6 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF file [CIF]
data_BaSiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   4.813
_cell_length_c   4.813
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   78.834
_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  Ba0  1  0.500  0.500  0.500  1.0
  Si  Si1  1  0.750  0.750  0.750  1.0
  B  B2  1  0.000  0.000  0.000  1.0
[/CIF]
.