The material described by Sr3LaTa3O12 crystallizes in the trigonal R3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(3), and six equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ta(2)O6 octahedra, and faces with three equivalent Ta(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Ta(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ta(3)O6 octahedra. La(1) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form TaO6 octahedra that share corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ta site, Ta(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. In the third Ta site, Ta(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(2)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(3), one Ta(1), and one Ta(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Ta(2), and one Ta(3) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(3), and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one La(1), and one Ta(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3LaTa3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.740
_cell_length_b   9.740
_cell_length_c   9.740
_cell_angle_alpha   33.950
_cell_angle_beta   33.950
_cell_angle_gamma   33.950
_symmetry_Int_Tables_number   1
_cell_volume   256.840
_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  0.138  0.138  0.138  1.0
  Sr  Sr1  1  0.714  0.714  0.714  1.0
  Sr  Sr2  1  0.286  0.286  0.286  1.0
  La  La3  1  0.856  0.856  0.856  1.0
  Ta  Ta4  1  0.577  0.577  0.577  1.0
  Ta  Ta5  1  0.423  0.423  0.423  1.0
  Ta  Ta6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.793  0.793  0.293  1.0
  O  O8  1  0.293  0.793  0.793  1.0
  O  O9  1  0.793  0.293  0.793  1.0
  O  O10  1  0.209  0.209  0.706  1.0
  O  O11  1  0.706  0.209  0.209  1.0
  O  O12  1  0.209  0.706  0.209  1.0
  O  O13  1  0.375  0.375  0.883  1.0
  O  O14  1  0.883  0.375  0.375  1.0
  O  O15  1  0.375  0.883  0.375  1.0
  O  O16  1  0.627  0.627  0.116  1.0
  O  O17  1  0.116  0.627  0.627  1.0
  O  O18  1  0.627  0.116  0.627  1.0
[/CIF]
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The material described by Sr3LaTa3O12 crystallizes in the trigonal R3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(3), and six equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ta(2)O6 octahedra, and faces with three equivalent Ta(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Ta(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ta(3)O6 octahedra. La(1) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form TaO6 octahedra that share corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ta site, Ta(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. In the third Ta site, Ta(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(2)O6 octahedra, faces with three equivalent Sr(2)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(3), one Ta(1), and one Ta(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Ta(2), and one Ta(3) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(3), and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one La(1), and one Ta(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3LaTa3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.740
_cell_length_b   9.740
_cell_length_c   9.740
_cell_angle_alpha   33.950
_cell_angle_beta   33.950
_cell_angle_gamma   33.950
_symmetry_Int_Tables_number   1
_cell_volume   256.840
_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  0.138  0.138  0.138  1.0
  Sr  Sr1  1  0.714  0.714  0.714  1.0
  Sr  Sr2  1  0.286  0.286  0.286  1.0
  La  La3  1  0.856  0.856  0.856  1.0
  Ta  Ta4  1  0.577  0.577  0.577  1.0
  Ta  Ta5  1  0.423  0.423  0.423  1.0
  Ta  Ta6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.793  0.793  0.293  1.0
  O  O8  1  0.293  0.793  0.793  1.0
  O  O9  1  0.793  0.293  0.793  1.0
  O  O10  1  0.209  0.209  0.706  1.0
  O  O11  1  0.706  0.209  0.209  1.0
  O  O12  1  0.209  0.706  0.209  1.0
  O  O13  1  0.375  0.375  0.883  1.0
  O  O14  1  0.883  0.375  0.375  1.0
  O  O15  1  0.375  0.883  0.375  1.0
  O  O16  1  0.627  0.627  0.116  1.0
  O  O17  1  0.116  0.627  0.627  1.0
  O  O18  1  0.627  0.116  0.627  1.0
[/CIF]
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