The material described by Ba4Sb2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to five equivalent Sb(1) and one O(1) atom. In the second Ba site, Ba(2) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent O(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Ba(2) and five equivalent Ba(1) atoms. O(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Sb2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.313
_cell_length_b   5.313
_cell_length_c   9.939
_cell_angle_alpha   105.504
_cell_angle_beta   105.504
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.762
_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  0.671  0.671  0.341  1.0
  Ba  Ba1  1  0.329  0.329  0.659  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Ba  Ba3  1  0.500  0.000  0.000  1.0
  Sb  Sb4  1  0.863  0.863  0.725  1.0
  Sb  Sb5  1  0.137  0.137  0.275  1.0
  O  O6  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material described by Ba4Sb2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to five equivalent Sb(1) and one O(1) atom. In the second Ba site, Ba(2) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent O(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Ba(2) and five equivalent Ba(1) atoms. O(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Sb2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.313
_cell_length_b   5.313
_cell_length_c   9.939
_cell_angle_alpha   105.504
_cell_angle_beta   105.504
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   259.762
_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  0.671  0.671  0.341  1.0
  Ba  Ba1  1  0.329  0.329  0.659  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Ba  Ba3  1  0.500  0.000  0.000  1.0
  Sb  Sb4  1  0.863  0.863  0.725  1.0
  Sb  Sb5  1  0.137  0.137  0.275  1.0
  O  O6  1  0.500  0.500  0.000  1.0
[/CIF]
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