The compound described by Sr2TaAlO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent Al(1)O6 octahedra. Ta(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Al(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Al2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ta(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_Sr2TaAlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.966
_cell_length_c   7.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.059
_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
  Sr  Sr0  1  0.000  0.000  0.716  1.0
  Sr  Sr1  1  0.000  0.000  0.284  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.500  0.500  0.749  1.0
  O  O9  1  0.500  0.500  0.251  1.0
[/CIF]
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The compound described by Sr2TaAlO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ta(1)O6 octahedra, and faces with four equivalent Al(1)O6 octahedra. Ta(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Al(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Al2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ta(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_Sr2TaAlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   3.966
_cell_length_c   7.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.059
_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
  Sr  Sr0  1  0.000  0.000  0.716  1.0
  Sr  Sr1  1  0.000  0.000  0.284  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.500  0.000  0.000  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.500  0.500  0.749  1.0
  O  O9  1  0.500  0.500  0.251  1.0
[/CIF]
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