The material described by Ta3Zn2Bi3O14 crystallizes in the trigonal R-3m space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent O(1) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Zn site, Zn(2) is bonded in a linear geometry to two equivalent O(3) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Zn(2) and three equivalent Bi(1) atoms to form distorted OZnBi3 tetrahedra that share corners with four equivalent O(3)ZnBi3 tetrahedra, corners with six equivalent O(1)TaZnBi2 tetrahedra, and edges with three equivalent O(1)TaZnBi2 tetrahedra. In the second O site, O(1) is bonded to one Ta(1), one Zn(1), and two equivalent Bi(1) atoms to form distorted OTaZnBi2 tetrahedra that share corners with two equivalent O(3)ZnBi3 tetrahedra, corners with eight equivalent O(1)TaZnBi2 tetrahedra,  an edgeedge with one O(3)ZnBi3 tetrahedra, and edges with two equivalent O(1)TaZnBi2 tetrahedra. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ta3Zn2Bi3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.316
_cell_length_c   7.316
_cell_angle_alpha   62.233
_cell_angle_beta   62.233
_cell_angle_gamma   62.233
_symmetry_Int_Tables_number   1
_cell_volume   290.720
_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
  Ta  Ta0  1  0.500  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.500  0.500  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Bi  Bi5  1  0.000  0.500  0.000  1.0
  Bi  Bi6  1  0.500  0.000  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.406  0.406  0.851  1.0
  O  O9  1  0.851  0.406  0.406  1.0
  O  O10  1  0.406  0.851  0.406  1.0
  O  O11  1  0.811  0.811  0.429  1.0
  O  O12  1  0.429  0.811  0.811  1.0
  O  O13  1  0.811  0.429  0.811  1.0
  O  O14  1  0.594  0.594  0.149  1.0
  O  O15  1  0.149  0.594  0.594  1.0
  O  O16  1  0.594  0.149  0.594  1.0
  O  O17  1  0.189  0.189  0.571  1.0
  O  O18  1  0.571  0.189  0.189  1.0
  O  O19  1  0.189  0.571  0.189  1.0
  O  O20  1  0.107  0.107  0.107  1.0
  O  O21  1  0.893  0.893  0.893  1.0
[/CIF]
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The material described by Ta3Zn2Bi3O14 crystallizes in the trigonal R-3m space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent O(1) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Zn site, Zn(2) is bonded in a linear geometry to two equivalent O(3) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Zn(2) and three equivalent Bi(1) atoms to form distorted OZnBi3 tetrahedra that share corners with four equivalent O(3)ZnBi3 tetrahedra, corners with six equivalent O(1)TaZnBi2 tetrahedra, and edges with three equivalent O(1)TaZnBi2 tetrahedra. In the second O site, O(1) is bonded to one Ta(1), one Zn(1), and two equivalent Bi(1) atoms to form distorted OTaZnBi2 tetrahedra that share corners with two equivalent O(3)ZnBi3 tetrahedra, corners with eight equivalent O(1)TaZnBi2 tetrahedra,  an edgeedge with one O(3)ZnBi3 tetrahedra, and edges with two equivalent O(1)TaZnBi2 tetrahedra. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ta3Zn2Bi3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.316
_cell_length_b   7.316
_cell_length_c   7.316
_cell_angle_alpha   62.233
_cell_angle_beta   62.233
_cell_angle_gamma   62.233
_symmetry_Int_Tables_number   1
_cell_volume   290.720
_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
  Ta  Ta0  1  0.500  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.500  0.500  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Bi  Bi5  1  0.000  0.500  0.000  1.0
  Bi  Bi6  1  0.500  0.000  0.000  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.406  0.406  0.851  1.0
  O  O9  1  0.851  0.406  0.406  1.0
  O  O10  1  0.406  0.851  0.406  1.0
  O  O11  1  0.811  0.811  0.429  1.0
  O  O12  1  0.429  0.811  0.811  1.0
  O  O13  1  0.811  0.429  0.811  1.0
  O  O14  1  0.594  0.594  0.149  1.0
  O  O15  1  0.149  0.594  0.594  1.0
  O  O16  1  0.594  0.149  0.594  1.0
  O  O17  1  0.189  0.189  0.571  1.0
  O  O18  1  0.571  0.189  0.189  1.0
  O  O19  1  0.189  0.571  0.189  1.0
  O  O20  1  0.107  0.107  0.107  1.0
  O  O21  1  0.893  0.893  0.893  1.0
[/CIF]
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