The crystal structure described by Ba4InSbO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Sb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(1), and one Sb(1) atom to form distorted OBa4InSb octahedra that share corners with two equivalent O(1)Ba4InSb octahedra, corners with six equivalent O(2)Ba5In octahedra, corners with six equivalent O(3)Ba5Sb octahedra, edges with two equivalent O(1)Ba4InSb octahedra, faces with two equivalent O(2)Ba5In octahedra, faces with two equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one In(1) atom to form distorted OBa5In octahedra that share corners with five equivalent O(2)Ba5In octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(2)Ba5In octahedra, edges with six equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Sb(1) atom to form distorted OBa5Sb octahedra that share corners with five equivalent O(3)Ba5Sb octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(3)Ba5Sb octahedra, edges with six equivalent O(2)Ba5In octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4InSbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   7.352
_cell_length_c   6.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.872
_symmetry_Int_Tables_number   1
_cell_volume   241.667
_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  0.354  0.646  0.000  1.0
  Ba  Ba1  1  0.855  0.145  0.500  1.0
  Ba  Ba2  1  0.145  0.855  0.500  1.0
  Ba  Ba3  1  0.646  0.354  0.000  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.261  0.261  0.736  1.0
  O  O7  1  0.739  0.739  0.264  1.0
  O  O8  1  0.739  0.739  0.736  1.0
  O  O9  1  0.261  0.261  0.264  1.0
  O  O10  1  0.160  0.840  0.000  1.0
  O  O11  1  0.653  0.347  0.500  1.0
  O  O12  1  0.347  0.653  0.500  1.0
  O  O13  1  0.840  0.160  0.000  1.0
[/CIF]
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The crystal structure described by Ba4InSbO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Sb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SbO6 octahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one In(1), and one Sb(1) atom to form distorted OBa4InSb octahedra that share corners with two equivalent O(1)Ba4InSb octahedra, corners with six equivalent O(2)Ba5In octahedra, corners with six equivalent O(3)Ba5Sb octahedra, edges with two equivalent O(1)Ba4InSb octahedra, faces with two equivalent O(2)Ba5In octahedra, faces with two equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one In(1) atom to form distorted OBa5In octahedra that share corners with five equivalent O(2)Ba5In octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(2)Ba5In octahedra, edges with six equivalent O(3)Ba5Sb octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Sb(1) atom to form distorted OBa5Sb octahedra that share corners with five equivalent O(3)Ba5Sb octahedra, corners with twelve equivalent O(1)Ba4InSb octahedra, edges with two equivalent O(3)Ba5Sb octahedra, edges with six equivalent O(2)Ba5In octahedra, and faces with four equivalent O(1)Ba4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4InSbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   7.352
_cell_length_c   6.005
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.872
_symmetry_Int_Tables_number   1
_cell_volume   241.667
_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  0.354  0.646  0.000  1.0
  Ba  Ba1  1  0.855  0.145  0.500  1.0
  Ba  Ba2  1  0.145  0.855  0.500  1.0
  Ba  Ba3  1  0.646  0.354  0.000  1.0
  In  In4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.261  0.261  0.736  1.0
  O  O7  1  0.739  0.739  0.264  1.0
  O  O8  1  0.739  0.739  0.736  1.0
  O  O9  1  0.261  0.261  0.264  1.0
  O  O10  1  0.160  0.840  0.000  1.0
  O  O11  1  0.653  0.347  0.500  1.0
  O  O12  1  0.347  0.653  0.500  1.0
  O  O13  1  0.840  0.160  0.000  1.0
[/CIF]
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