The material described by Ba3(LiSb)4 crystallizes in the orthorhombic Immm space group. Li(1) is bonded to three equivalent Ba(1), one Sb(2), and three equivalent Sb(1) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(2)Sb6 octahedra, corners with five equivalent Li(1)Ba3Sb4 tetrahedra, edges with two equivalent Ba(2)Sb6 octahedra, edges with six equivalent Li(1)Ba3Sb4 tetrahedra, and faces with four equivalent Li(1)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to six equivalent Li(1), two equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form BaSb6 octahedra that share corners with four equivalent Li(1)Ba3Sb4 tetrahedra, edges with two equivalent Ba(2)Sb6 octahedra, and edges with eight equivalent Li(1)Ba3Sb4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to six equivalent Li(1), one Ba(2), and two equivalent Ba(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ba(2), four equivalent Ba(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_Ba3(LiSb)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   7.708
_cell_length_c   9.491
_cell_angle_alpha   113.958
_cell_angle_beta   105.379
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.087
_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  0.132  0.632  0.265  1.0
  Ba  Ba1  1  0.868  0.368  0.735  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.676  0.982  0.351  1.0
  Li  Li4  1  0.324  0.018  0.649  1.0
  Li  Li5  1  0.324  0.630  0.649  1.0
  Li  Li6  1  0.676  0.370  0.351  1.0
  Sb  Sb7  1  0.787  0.787  0.574  1.0
  Sb  Sb8  1  0.213  0.213  0.426  1.0
  Sb  Sb9  1  0.500  0.684  0.000  1.0
  Sb  Sb10  1  0.500  0.316  0.000  1.0
[/CIF]
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The material described by Ba3(LiSb)4 crystallizes in the orthorhombic Immm space group. Li(1) is bonded to three equivalent Ba(1), one Sb(2), and three equivalent Sb(1) atoms to form distorted LiBa3Sb4 tetrahedra that share  a cornercorner with one Ba(2)Sb6 octahedra, corners with five equivalent Li(1)Ba3Sb4 tetrahedra, edges with two equivalent Ba(2)Sb6 octahedra, edges with six equivalent Li(1)Ba3Sb4 tetrahedra, and faces with four equivalent Li(1)Ba3Sb4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to six equivalent Li(1), two equivalent Sb(1), and four equivalent Sb(2) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form BaSb6 octahedra that share corners with four equivalent Li(1)Ba3Sb4 tetrahedra, edges with two equivalent Ba(2)Sb6 octahedra, and edges with eight equivalent Li(1)Ba3Sb4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to six equivalent Li(1), one Ba(2), and two equivalent Ba(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Ba(2), four equivalent Ba(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_Ba3(LiSb)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.034
_cell_length_b   7.708
_cell_length_c   9.491
_cell_angle_alpha   113.958
_cell_angle_beta   105.379
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.087
_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  0.132  0.632  0.265  1.0
  Ba  Ba1  1  0.868  0.368  0.735  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.676  0.982  0.351  1.0
  Li  Li4  1  0.324  0.018  0.649  1.0
  Li  Li5  1  0.324  0.630  0.649  1.0
  Li  Li6  1  0.676  0.370  0.351  1.0
  Sb  Sb7  1  0.787  0.787  0.574  1.0
  Sb  Sb8  1  0.213  0.213  0.426  1.0
  Sb  Sb9  1  0.500  0.684  0.000  1.0
  Sb  Sb10  1  0.500  0.316  0.000  1.0
[/CIF]
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