The compound described by BaYb2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded to four equivalent O(1) atoms to form BaO4 tetrahedra that share corners with twelve equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. Yb(1) is bonded to six equivalent O(1) atoms to form YbO6 octahedra that share corners with six equivalent Ba(1)O4 tetrahedra and edges with six equivalent Yb(1)O6 octahedra. O(1) is bonded to one Ba(1) and three equivalent Yb(1) atoms to form a mixture of edge and corner-sharing OBaYb3 tetrahedra. is represented by the CIF card [CIF]
data_BaYb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.159
_cell_length_c   7.159
_cell_angle_alpha   121.427
_cell_angle_beta   121.427
_cell_angle_gamma   87.545
_symmetry_Int_Tables_number   1
_cell_volume   253.576
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.875  0.625  0.250  1.0
  Yb  Yb3  1  0.375  0.125  0.750  1.0
  Yb  Yb4  1  0.375  0.625  0.250  1.0
  Yb  Yb5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.151  0.434  0.283  1.0
  O  O7  1  0.184  0.401  0.783  1.0
  O  O8  1  0.617  0.401  0.217  1.0
  O  O9  1  0.599  0.383  0.783  1.0
  O  O10  1  0.151  0.867  0.717  1.0
  O  O11  1  0.133  0.849  0.283  1.0
  O  O12  1  0.566  0.849  0.717  1.0
  O  O13  1  0.599  0.816  0.217  1.0
[/CIF]
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The compound described by BaYb2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded to four equivalent O(1) atoms to form BaO4 tetrahedra that share corners with twelve equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. Yb(1) is bonded to six equivalent O(1) atoms to form YbO6 octahedra that share corners with six equivalent Ba(1)O4 tetrahedra and edges with six equivalent Yb(1)O6 octahedra. O(1) is bonded to one Ba(1) and three equivalent Yb(1) atoms to form a mixture of edge and corner-sharing OBaYb3 tetrahedra. is represented by the CIF card [CIF]
data_BaYb2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.159
_cell_length_c   7.159
_cell_angle_alpha   121.427
_cell_angle_beta   121.427
_cell_angle_gamma   87.545
_symmetry_Int_Tables_number   1
_cell_volume   253.576
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Yb  Yb2  1  0.875  0.625  0.250  1.0
  Yb  Yb3  1  0.375  0.125  0.750  1.0
  Yb  Yb4  1  0.375  0.625  0.250  1.0
  Yb  Yb5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.151  0.434  0.283  1.0
  O  O7  1  0.184  0.401  0.783  1.0
  O  O8  1  0.617  0.401  0.217  1.0
  O  O9  1  0.599  0.383  0.783  1.0
  O  O10  1  0.151  0.867  0.717  1.0
  O  O11  1  0.133  0.849  0.283  1.0
  O  O12  1  0.566  0.849  0.717  1.0
  O  O13  1  0.599  0.816  0.217  1.0
[/CIF]
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