The material described by TaZn2SnO6 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 Sn(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. 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 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-85°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-81°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. 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 Sn(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 Sn(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)Zn2Sn2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Sn(1) atoms to form OZn2Sn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_TaZn2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.899
_cell_length_b   5.491
_cell_length_c   5.496
_cell_angle_alpha   88.025
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.222
_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  0.000  0.500  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.750  0.020  0.011  1.0
  Zn  Zn3  1  0.750  0.490  0.528  1.0
  Zn  Zn4  1  0.250  0.510  0.472  1.0
  Zn  Zn5  1  0.250  0.980  0.989  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.435  0.144  0.179  1.0
  O  O9  1  0.570  0.690  0.349  1.0
  O  O10  1  0.565  0.856  0.821  1.0
  O  O11  1  0.070  0.310  0.651  1.0
  O  O12  1  0.250  0.875  0.570  1.0
  O  O13  1  0.430  0.310  0.651  1.0
  O  O14  1  0.930  0.690  0.349  1.0
  O  O15  1  0.065  0.144  0.179  1.0
  O  O16  1  0.750  0.381  0.904  1.0
  O  O17  1  0.935  0.856  0.821  1.0
  O  O18  1  0.250  0.619  0.096  1.0
  O  O19  1  0.750  0.125  0.430  1.0
[/CIF]
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The material described by TaZn2SnO6 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 Sn(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. 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 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-85°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-81°. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. 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 Sn(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 Sn(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)Zn2Sn2 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Zn(2), and two equivalent Sn(1) atoms to form OZn2Sn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2Sn2 tetrahedra. is represented by the CIF file [CIF]
data_TaZn2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.899
_cell_length_b   5.491
_cell_length_c   5.496
_cell_angle_alpha   88.025
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.222
_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  0.000  0.500  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.750  0.020  0.011  1.0
  Zn  Zn3  1  0.750  0.490  0.528  1.0
  Zn  Zn4  1  0.250  0.510  0.472  1.0
  Zn  Zn5  1  0.250  0.980  0.989  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.435  0.144  0.179  1.0
  O  O9  1  0.570  0.690  0.349  1.0
  O  O10  1  0.565  0.856  0.821  1.0
  O  O11  1  0.070  0.310  0.651  1.0
  O  O12  1  0.250  0.875  0.570  1.0
  O  O13  1  0.430  0.310  0.651  1.0
  O  O14  1  0.930  0.690  0.349  1.0
  O  O15  1  0.065  0.144  0.179  1.0
  O  O16  1  0.750  0.381  0.904  1.0
  O  O17  1  0.935  0.856  0.821  1.0
  O  O18  1  0.250  0.619  0.096  1.0
  O  O19  1  0.750  0.125  0.430  1.0
[/CIF]
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