The material structure described by Sr2YTaO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Y(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Y(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   5.789
_cell_length_c   5.864
_cell_angle_alpha   119.580
_cell_angle_beta   119.580
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.725
_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  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Y  Y2  1  1.000  1.000  0.000  1.0
  Ta  Ta3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.263  0.263  0.526  1.0
  O  O5  1  0.737  0.737  0.474  1.0
  O  O6  1  0.327  0.204  1.000  1.0
  O  O7  1  0.673  0.796  0.000  1.0
  O  O8  1  0.796  0.327  0.000  1.0
  O  O9  1  0.204  0.673  1.000  1.0
[/CIF]
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The material structure described by Sr2YTaO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Y(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Y(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   5.789
_cell_length_c   5.864
_cell_angle_alpha   119.580
_cell_angle_beta   119.580
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.725
_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  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Y  Y2  1  1.000  1.000  0.000  1.0
  Ta  Ta3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.263  0.263  0.526  1.0
  O  O5  1  0.737  0.737  0.474  1.0
  O  O6  1  0.327  0.204  1.000  1.0
  O  O7  1  0.673  0.796  0.000  1.0
  O  O8  1  0.796  0.327  0.000  1.0
  O  O9  1  0.204  0.673  1.000  1.0
[/CIF]
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