The material described by Ba2BiSbO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Bi(1) is bonded in a linear geometry to two equivalent O(1) atoms. Sb(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Bi(1), and one O(2) atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sb(1), and one O(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one Sb(1) atom. is represented by the CIF file [CIF]
data_Ba2BiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.483
_cell_length_b   6.200
_cell_length_c   6.467
_cell_angle_alpha   100.794
_cell_angle_beta   123.209
_cell_angle_gamma   62.780
_symmetry_Int_Tables_number   1
_cell_volume   252.112
_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  0.275  0.168  0.643  1.0
  Ba  Ba1  1  0.725  0.832  0.357  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Sb  Sb3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.697  0.015  0.973  1.0
  O  O5  1  0.682  0.792  0.848  1.0
  O  O6  1  0.940  0.442  0.660  1.0
  O  O7  1  0.303  0.985  0.027  1.0
  O  O8  1  0.318  0.208  0.152  1.0
  O  O9  1  0.060  0.558  0.340  1.0
[/CIF]
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The material described by Ba2BiSbO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 5-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Bi(1) is bonded in a linear geometry to two equivalent O(1) atoms. Sb(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Bi(1), and one O(2) atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sb(1), and one O(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one Sb(1) atom. is represented by the CIF file [CIF]
data_Ba2BiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.483
_cell_length_b   6.200
_cell_length_c   6.467
_cell_angle_alpha   100.794
_cell_angle_beta   123.209
_cell_angle_gamma   62.780
_symmetry_Int_Tables_number   1
_cell_volume   252.112
_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  0.275  0.168  0.643  1.0
  Ba  Ba1  1  0.725  0.832  0.357  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Sb  Sb3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.697  0.015  0.973  1.0
  O  O5  1  0.682  0.792  0.848  1.0
  O  O6  1  0.940  0.442  0.660  1.0
  O  O7  1  0.303  0.985  0.027  1.0
  O  O8  1  0.318  0.208  0.152  1.0
  O  O9  1  0.060  0.558  0.340  1.0
[/CIF]
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