The compound described by BaYSnSbO6 crystallizes in the tetragonal P-4n2 space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Y(1)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. Sn(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Y(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), one Y(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Y(1), one Sn(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaYSnSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   8.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.746
_cell_formula_units_Z   2
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  0.000  0.500  0.250  1.0
  Ba  Ba1  1  0.500  0.000  0.750  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.500  0.000  0.250  1.0
  Sn  Sn5  1  0.000  0.500  0.750  1.0
  Sb  Sb6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.000  0.000  0.237  1.0
  O  O9  1  0.500  0.500  0.263  1.0
  O  O10  1  0.000  0.000  0.763  1.0
  O  O11  1  0.500  0.500  0.737  1.0
  O  O12  1  0.283  0.188  0.012  1.0
  O  O13  1  0.717  0.812  0.012  1.0
  O  O14  1  0.812  0.283  0.988  1.0
  O  O15  1  0.188  0.717  0.988  1.0
  O  O16  1  0.783  0.312  0.512  1.0
  O  O17  1  0.217  0.688  0.512  1.0
  O  O18  1  0.312  0.217  0.488  1.0
  O  O19  1  0.688  0.783  0.488  1.0
[/CIF]
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The compound described by BaYSnSbO6 crystallizes in the tetragonal P-4n2 space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Y(1)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. Sn(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Y(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), one Y(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Y(1), one Sn(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaYSnSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   8.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.746
_cell_formula_units_Z   2
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  0.000  0.500  0.250  1.0
  Ba  Ba1  1  0.500  0.000  0.750  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.500  0.000  0.250  1.0
  Sn  Sn5  1  0.000  0.500  0.750  1.0
  Sb  Sb6  1  0.000  0.000  0.000  1.0
  Sb  Sb7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.000  0.000  0.237  1.0
  O  O9  1  0.500  0.500  0.263  1.0
  O  O10  1  0.000  0.000  0.763  1.0
  O  O11  1  0.500  0.500  0.737  1.0
  O  O12  1  0.283  0.188  0.012  1.0
  O  O13  1  0.717  0.812  0.012  1.0
  O  O14  1  0.812  0.283  0.988  1.0
  O  O15  1  0.188  0.717  0.988  1.0
  O  O16  1  0.783  0.312  0.512  1.0
  O  O17  1  0.217  0.688  0.512  1.0
  O  O18  1  0.312  0.217  0.488  1.0
  O  O19  1  0.688  0.783  0.488  1.0
[/CIF]
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