The crystal structure described by TaZn2BiO6 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, corners with four equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-54°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted ZnO4 trigonal pyramids that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-82°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 57-79°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1), one Zn(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Zn(2), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Bi2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Bi(1) atoms to form distorted OZn2Bi2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Bi2 tetrahedra. is represented by the CIF card [CIF]
data_TaZn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.091
_cell_length_b   5.532
_cell_length_c   5.615
_cell_angle_alpha   87.231
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.029
_cell_formula_units_Z   2
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  0.000  0.500  0.000  1.0
  Ta  Ta1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.983  0.976  1.0
  Zn  Zn3  1  0.250  0.480  0.517  1.0
  Zn  Zn4  1  0.750  0.520  0.483  1.0
  Zn  Zn5  1  0.750  0.017  0.024  1.0
  Bi  Bi6  1  0.000  0.000  0.500  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.572  0.820  0.875  1.0
  O  O9  1  0.428  0.634  0.307  1.0
  O  O10  1  0.428  0.180  0.125  1.0
  O  O11  1  0.928  0.366  0.693  1.0
  O  O12  1  0.750  0.406  0.124  1.0
  O  O13  1  0.572  0.366  0.693  1.0
  O  O14  1  0.072  0.634  0.307  1.0
  O  O15  1  0.928  0.820  0.875  1.0
  O  O16  1  0.250  0.130  0.638  1.0
  O  O17  1  0.072  0.180  0.125  1.0
  O  O18  1  0.750  0.870  0.362  1.0
  O  O19  1  0.250  0.594  0.876  1.0
[/CIF]
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The crystal structure described by TaZn2BiO6 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, corners with four equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 46-54°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted ZnO4 trigonal pyramids that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-82°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 57-79°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ta(1), one Zn(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Zn(2), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Bi2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Bi(1) atoms to form distorted OZn2Bi2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Bi2 tetrahedra. is represented by the CIF card [CIF]
data_TaZn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.091
_cell_length_b   5.532
_cell_length_c   5.615
_cell_angle_alpha   87.231
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.029
_cell_formula_units_Z   2
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  0.000  0.500  0.000  1.0
  Ta  Ta1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.983  0.976  1.0
  Zn  Zn3  1  0.250  0.480  0.517  1.0
  Zn  Zn4  1  0.750  0.520  0.483  1.0
  Zn  Zn5  1  0.750  0.017  0.024  1.0
  Bi  Bi6  1  0.000  0.000  0.500  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.572  0.820  0.875  1.0
  O  O9  1  0.428  0.634  0.307  1.0
  O  O10  1  0.428  0.180  0.125  1.0
  O  O11  1  0.928  0.366  0.693  1.0
  O  O12  1  0.750  0.406  0.124  1.0
  O  O13  1  0.572  0.366  0.693  1.0
  O  O14  1  0.072  0.634  0.307  1.0
  O  O15  1  0.928  0.820  0.875  1.0
  O  O16  1  0.250  0.130  0.638  1.0
  O  O17  1  0.072  0.180  0.125  1.0
  O  O18  1  0.750  0.870  0.362  1.0
  O  O19  1  0.250  0.594  0.876  1.0
[/CIF]
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