The structure described by Sr2YbTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YbO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Yb(1), and one Ta(1) atom to form distorted corner-sharing OSr2YbTa tetrahedra. is represented by the CIF card [CIF]
data_Sr2YbTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.963
_cell_length_c   8.318
_cell_angle_alpha   90.000
_cell_angle_beta   89.975
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.017
_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
  Sr  Sr0  1  0.490  0.543  0.249  1.0
  Sr  Sr1  1  0.990  0.957  0.749  1.0
  Sr  Sr2  1  0.510  0.457  0.751  1.0
  Sr  Sr3  1  0.010  0.043  0.251  1.0
  Yb  Yb4  1  0.000  0.500  0.500  1.0
  Yb  Yb5  1  0.500  0.000  0.000  1.0
  Ta  Ta6  1  0.500  0.000  0.500  1.0
  Ta  Ta7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.226  0.807  0.458  1.0
  O  O9  1  0.726  0.693  0.958  1.0
  O  O10  1  0.774  0.193  0.542  1.0
  O  O11  1  0.274  0.307  0.042  1.0
  O  O12  1  0.188  0.774  0.049  1.0
  O  O13  1  0.688  0.726  0.549  1.0
  O  O14  1  0.812  0.226  0.951  1.0
  O  O15  1  0.312  0.274  0.451  1.0
  O  O16  1  0.587  0.971  0.268  1.0
  O  O17  1  0.087  0.529  0.768  1.0
  O  O18  1  0.413  0.029  0.732  1.0
  O  O19  1  0.913  0.471  0.232  1.0
[/CIF]
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The structure described by Sr2YbTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Yb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YbO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Yb(1), and one Ta(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Yb(1), and one Ta(1) atom to form distorted corner-sharing OSr2YbTa tetrahedra. is represented by the CIF card [CIF]
data_Sr2YbTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.963
_cell_length_c   8.318
_cell_angle_alpha   90.000
_cell_angle_beta   89.975
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.017
_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
  Sr  Sr0  1  0.490  0.543  0.249  1.0
  Sr  Sr1  1  0.990  0.957  0.749  1.0
  Sr  Sr2  1  0.510  0.457  0.751  1.0
  Sr  Sr3  1  0.010  0.043  0.251  1.0
  Yb  Yb4  1  0.000  0.500  0.500  1.0
  Yb  Yb5  1  0.500  0.000  0.000  1.0
  Ta  Ta6  1  0.500  0.000  0.500  1.0
  Ta  Ta7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.226  0.807  0.458  1.0
  O  O9  1  0.726  0.693  0.958  1.0
  O  O10  1  0.774  0.193  0.542  1.0
  O  O11  1  0.274  0.307  0.042  1.0
  O  O12  1  0.188  0.774  0.049  1.0
  O  O13  1  0.688  0.726  0.549  1.0
  O  O14  1  0.812  0.226  0.951  1.0
  O  O15  1  0.312  0.274  0.451  1.0
  O  O16  1  0.587  0.971  0.268  1.0
  O  O17  1  0.087  0.529  0.768  1.0
  O  O18  1  0.413  0.029  0.732  1.0
  O  O19  1  0.913  0.471  0.232  1.0
[/CIF]
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