The material structure described by Sr2TaGaO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form 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 Ga(1)O6 octahedra. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ga(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. Ga(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form GaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Ga(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ta(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OSr4TaGa octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2TaGaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   5.594
_cell_angle_alpha   120.260
_cell_angle_beta   120.260
_cell_angle_gamma   89.550
_symmetry_Int_Tables_number   1
_cell_volume   123.271
_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
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.778  0.722  0.500  1.0
  O  O5  1  0.722  0.222  0.944  1.0
  O  O6  1  0.278  0.778  0.056  1.0
  O  O7  1  0.222  0.278  0.500  1.0
  O  O8  1  0.250  0.250  0.000  1.0
  O  O9  1  0.750  0.750  0.000  1.0
[/CIF]
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The material structure described by Sr2TaGaO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form 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 Ga(1)O6 octahedra. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent Ga(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. Ga(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form GaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Ga(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Ta(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing OSr4TaGa octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Sr2TaGaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   5.594
_cell_angle_alpha   120.260
_cell_angle_beta   120.260
_cell_angle_gamma   89.550
_symmetry_Int_Tables_number   1
_cell_volume   123.271
_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
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.778  0.722  0.500  1.0
  O  O5  1  0.722  0.222  0.944  1.0
  O  O6  1  0.278  0.778  0.056  1.0
  O  O7  1  0.222  0.278  0.500  1.0
  O  O8  1  0.250  0.250  0.000  1.0
  O  O9  1  0.750  0.750  0.000  1.0
[/CIF]
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