The structure described by Sr2TbTaO6 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(1), three equivalent O(2), and three equivalent O(3) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 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 Tb(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 to two equivalent Sr(1), one Tb(1), and one Ta(1) atom to form distorted corner-sharing OSr2TbTa tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_Sr2TbTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.961
_cell_length_c   8.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.230
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.550
_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  0.010  0.460  0.252  1.0
  Sr  Sr1  1  0.990  0.540  0.748  1.0
  Sr  Sr2  1  0.490  0.960  0.248  1.0
  Sr  Sr3  1  0.510  0.040  0.752  1.0
  Tb  Tb4  1  0.000  0.000  0.500  1.0
  Tb  Tb5  1  0.500  0.500  0.000  1.0
  Ta  Ta6  1  0.000  0.000  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.916  0.028  0.234  1.0
  O  O9  1  0.084  0.972  0.766  1.0
  O  O10  1  0.584  0.528  0.266  1.0
  O  O11  1  0.416  0.472  0.734  1.0
  O  O12  1  0.192  0.726  0.048  1.0
  O  O13  1  0.808  0.274  0.952  1.0
  O  O14  1  0.308  0.226  0.452  1.0
  O  O15  1  0.692  0.774  0.548  1.0
  O  O16  1  0.275  0.195  0.041  1.0
  O  O17  1  0.725  0.805  0.959  1.0
  O  O18  1  0.225  0.695  0.459  1.0
  O  O19  1  0.775  0.305  0.541  1.0
[/CIF]
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The structure described by Sr2TbTaO6 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(1), three equivalent O(2), and three equivalent O(3) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 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 Tb(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 to two equivalent Sr(1), one Tb(1), and one Ta(1) atom to form distorted corner-sharing OSr2TbTa tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Tb(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_Sr2TbTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.961
_cell_length_c   8.333
_cell_angle_alpha   90.000
_cell_angle_beta   90.230
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.550
_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  0.010  0.460  0.252  1.0
  Sr  Sr1  1  0.990  0.540  0.748  1.0
  Sr  Sr2  1  0.490  0.960  0.248  1.0
  Sr  Sr3  1  0.510  0.040  0.752  1.0
  Tb  Tb4  1  0.000  0.000  0.500  1.0
  Tb  Tb5  1  0.500  0.500  0.000  1.0
  Ta  Ta6  1  0.000  0.000  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.916  0.028  0.234  1.0
  O  O9  1  0.084  0.972  0.766  1.0
  O  O10  1  0.584  0.528  0.266  1.0
  O  O11  1  0.416  0.472  0.734  1.0
  O  O12  1  0.192  0.726  0.048  1.0
  O  O13  1  0.808  0.274  0.952  1.0
  O  O14  1  0.308  0.226  0.452  1.0
  O  O15  1  0.692  0.774  0.548  1.0
  O  O16  1  0.275  0.195  0.041  1.0
  O  O17  1  0.725  0.805  0.959  1.0
  O  O18  1  0.225  0.695  0.459  1.0
  O  O19  1  0.775  0.305  0.541  1.0
[/CIF]
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