The material described by Ta2Zn2SnO8 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(3) and three equivalent O(4) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. is represented by the CIF card [CIF]
data_Ta2Zn2SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.921
_cell_length_b   10.921
_cell_length_c   5.434
_cell_angle_alpha   88.457
_cell_angle_beta   88.457
_cell_angle_gamma   31.910
_symmetry_Int_Tables_number   1
_cell_volume   342.429
_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  0.028  0.720  0.224  1.0
  Ta  Ta1  1  0.280  0.972  0.276  1.0
  Ta  Ta2  1  0.972  0.280  0.776  1.0
  Ta  Ta3  1  0.720  0.028  0.724  1.0
  Zn  Zn4  1  0.871  0.569  0.277  1.0
  Zn  Zn5  1  0.431  0.129  0.223  1.0
  Zn  Zn6  1  0.129  0.431  0.723  1.0
  Zn  Zn7  1  0.569  0.871  0.777  1.0
  Sn  Sn8  1  0.679  0.321  0.250  1.0
  Sn  Sn9  1  0.321  0.679  0.750  1.0
  O  O10  1  0.008  0.827  0.536  1.0
  O  O11  1  0.173  0.992  0.964  1.0
  O  O12  1  0.992  0.173  0.464  1.0
  O  O13  1  0.827  0.008  0.036  1.0
  O  O14  1  0.305  0.559  0.125  1.0
  O  O15  1  0.441  0.695  0.375  1.0
  O  O16  1  0.695  0.441  0.875  1.0
  O  O17  1  0.559  0.305  0.625  1.0
  O  O18  1  0.931  0.707  0.921  1.0
  O  O19  1  0.293  0.069  0.579  1.0
  O  O20  1  0.452  0.149  0.856  1.0
  O  O21  1  0.851  0.548  0.644  1.0
  O  O22  1  0.548  0.851  0.144  1.0
  O  O23  1  0.149  0.452  0.356  1.0
  O  O24  1  0.707  0.931  0.421  1.0
  O  O25  1  0.069  0.293  0.079  1.0
[/CIF]
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The material described by Ta2Zn2SnO8 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(3) and three equivalent O(4) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ta(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OTaZn3 trigonal pyramids. is represented by the CIF card [CIF]
data_Ta2Zn2SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.921
_cell_length_b   10.921
_cell_length_c   5.434
_cell_angle_alpha   88.457
_cell_angle_beta   88.457
_cell_angle_gamma   31.910
_symmetry_Int_Tables_number   1
_cell_volume   342.429
_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  0.028  0.720  0.224  1.0
  Ta  Ta1  1  0.280  0.972  0.276  1.0
  Ta  Ta2  1  0.972  0.280  0.776  1.0
  Ta  Ta3  1  0.720  0.028  0.724  1.0
  Zn  Zn4  1  0.871  0.569  0.277  1.0
  Zn  Zn5  1  0.431  0.129  0.223  1.0
  Zn  Zn6  1  0.129  0.431  0.723  1.0
  Zn  Zn7  1  0.569  0.871  0.777  1.0
  Sn  Sn8  1  0.679  0.321  0.250  1.0
  Sn  Sn9  1  0.321  0.679  0.750  1.0
  O  O10  1  0.008  0.827  0.536  1.0
  O  O11  1  0.173  0.992  0.964  1.0
  O  O12  1  0.992  0.173  0.464  1.0
  O  O13  1  0.827  0.008  0.036  1.0
  O  O14  1  0.305  0.559  0.125  1.0
  O  O15  1  0.441  0.695  0.375  1.0
  O  O16  1  0.695  0.441  0.875  1.0
  O  O17  1  0.559  0.305  0.625  1.0
  O  O18  1  0.931  0.707  0.921  1.0
  O  O19  1  0.293  0.069  0.579  1.0
  O  O20  1  0.452  0.149  0.856  1.0
  O  O21  1  0.851  0.548  0.644  1.0
  O  O22  1  0.548  0.851  0.144  1.0
  O  O23  1  0.149  0.452  0.356  1.0
  O  O24  1  0.707  0.931  0.421  1.0
  O  O25  1  0.069  0.293  0.079  1.0
[/CIF]
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