The material described by Ba2SbO6Bi crystallizes in the triclinic P-1 space group. The structure consists of one 7440-69-9 atom inside a Ba2SbO6 framework. In the Ba2SbO6 framework, Ba(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Sb(1) is bonded in a distorted octahedral geometry to two equivalent O(1), 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 in a 3-coordinate geometry to one Ba(1), one Sb(1), and one O(2) atom. 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 distorted trigonal non-coplanar geometry to one Ba(1), one Sb(1), and one O(3) atom. is represented by the CIF file [CIF]
data_Ba2BiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.699
_cell_length_c   7.479
_cell_angle_alpha   111.076
_cell_angle_beta   92.176
_cell_angle_gamma   111.950
_symmetry_Int_Tables_number   1
_cell_volume   204.293
_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  0.647  1.0
  Ba  Ba1  1  0.646  0.354  0.353  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  0.353  0.854  0.270  1.0
  O  O5  1  0.231  0.558  0.312  1.0
  O  O6  1  0.534  0.390  0.994  1.0
  O  O7  1  0.647  0.146  0.730  1.0
  O  O8  1  0.769  0.442  0.688  1.0
  O  O9  1  0.466  0.610  0.006  1.0
[/CIF]
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The material described by Ba2SbO6Bi crystallizes in the triclinic P-1 space group. The structure consists of one 7440-69-9 atom inside a Ba2SbO6 framework. In the Ba2SbO6 framework, Ba(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Sb(1) is bonded in a distorted octahedral geometry to two equivalent O(1), 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 in a 3-coordinate geometry to one Ba(1), one Sb(1), and one O(2) atom. 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 distorted trigonal non-coplanar geometry to one Ba(1), one Sb(1), and one O(3) atom. is represented by the CIF file [CIF]
data_Ba2BiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.699
_cell_length_c   7.479
_cell_angle_alpha   111.076
_cell_angle_beta   92.176
_cell_angle_gamma   111.950
_symmetry_Int_Tables_number   1
_cell_volume   204.293
_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  0.647  1.0
  Ba  Ba1  1  0.646  0.354  0.353  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  0.353  0.854  0.270  1.0
  O  O5  1  0.231  0.558  0.312  1.0
  O  O6  1  0.534  0.390  0.994  1.0
  O  O7  1  0.647  0.146  0.730  1.0
  O  O8  1  0.769  0.442  0.688  1.0
  O  O9  1  0.466  0.610  0.006  1.0
[/CIF]
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