The structure described by Sr3(ZnTa2)O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Zn(1)O6 octahedra, and faces with six equivalent Ta(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with nine equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Zn(1)O6 octahedra, and faces with five equivalent Ta(1)O6 octahedra. Ta(1) 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 Zn(1)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with five equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Zn(1) is bonded to six equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Sr3Ta2ZnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.725
_cell_length_c   7.074
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   200.818
_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  0.000  1.0
  Sr  Sr1  1  0.667  0.333  0.338  1.0
  Sr  Sr2  1  0.333  0.667  0.662  1.0
  Ta  Ta3  1  0.667  0.333  0.823  1.0
  Ta  Ta4  1  0.333  0.667  0.177  1.0
  Zn  Zn5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.830  0.661  0.677  1.0
  O  O10  1  0.830  0.170  0.677  1.0
  O  O11  1  0.339  0.170  0.677  1.0
  O  O12  1  0.170  0.339  0.323  1.0
  O  O13  1  0.170  0.830  0.323  1.0
  O  O14  1  0.661  0.830  0.323  1.0
[/CIF]
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The structure described by Sr3(ZnTa2)O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Zn(1)O6 octahedra, and faces with six equivalent Ta(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with nine equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Zn(1)O6 octahedra, and faces with five equivalent Ta(1)O6 octahedra. Ta(1) 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 Zn(1)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with five equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Zn(1) is bonded to six equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Ta(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Sr3Ta2ZnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.725
_cell_length_c   7.074
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   200.818
_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  0.000  1.0
  Sr  Sr1  1  0.667  0.333  0.338  1.0
  Sr  Sr2  1  0.333  0.667  0.662  1.0
  Ta  Ta3  1  0.667  0.333  0.823  1.0
  Ta  Ta4  1  0.333  0.667  0.177  1.0
  Zn  Zn5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.830  0.661  0.677  1.0
  O  O10  1  0.830  0.170  0.677  1.0
  O  O11  1  0.339  0.170  0.677  1.0
  O  O12  1  0.170  0.339  0.323  1.0
  O  O13  1  0.170  0.830  0.323  1.0
  O  O14  1  0.661  0.830  0.323  1.0
[/CIF]
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