The structure described by Zn3Ta2O8 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with five equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Ta(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ta(1)O6 octahedra and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with five equivalent Ta(1)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-61°. 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 Zn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Zn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Zn(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ta2Zn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.119
_cell_length_c   9.515
_cell_angle_alpha   71.398
_cell_angle_beta   71.398
_cell_angle_gamma   86.941
_symmetry_Int_Tables_number   1
_cell_volume   319.510
_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  0.062  0.776  0.627  1.0
  Ta  Ta1  1  0.224  0.938  0.873  1.0
  Ta  Ta2  1  0.938  0.224  0.373  1.0
  Ta  Ta3  1  0.776  0.062  0.127  1.0
  Zn  Zn4  1  0.761  0.239  0.750  1.0
  Zn  Zn5  1  0.239  0.761  0.250  1.0
  Zn  Zn6  1  0.681  0.636  0.004  1.0
  Zn  Zn7  1  0.364  0.319  0.496  1.0
  Zn  Zn8  1  0.319  0.364  0.996  1.0
  Zn  Zn9  1  0.636  0.681  0.504  1.0
  O  O10  1  0.179  0.426  0.355  1.0
  O  O11  1  0.574  0.821  0.145  1.0
  O  O12  1  0.821  0.574  0.645  1.0
  O  O13  1  0.426  0.179  0.855  1.0
  O  O14  1  0.310  0.581  0.591  1.0
  O  O15  1  0.419  0.690  0.909  1.0
  O  O16  1  0.690  0.419  0.409  1.0
  O  O17  1  0.581  0.310  0.091  1.0
  O  O18  1  0.985  0.715  0.855  1.0
  O  O19  1  0.285  0.015  0.645  1.0
  O  O20  1  0.061  0.859  0.105  1.0
  O  O21  1  0.141  0.939  0.395  1.0
  O  O22  1  0.939  0.141  0.895  1.0
  O  O23  1  0.859  0.061  0.605  1.0
  O  O24  1  0.715  0.985  0.355  1.0
  O  O25  1  0.015  0.285  0.145  1.0
[/CIF]
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The structure described by Zn3Ta2O8 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with five equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Ta(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ta(1)O6 octahedra and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with five equivalent Ta(1)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-61°. 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 Zn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Zn(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Zn(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ta2Zn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.119
_cell_length_c   9.515
_cell_angle_alpha   71.398
_cell_angle_beta   71.398
_cell_angle_gamma   86.941
_symmetry_Int_Tables_number   1
_cell_volume   319.510
_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  0.062  0.776  0.627  1.0
  Ta  Ta1  1  0.224  0.938  0.873  1.0
  Ta  Ta2  1  0.938  0.224  0.373  1.0
  Ta  Ta3  1  0.776  0.062  0.127  1.0
  Zn  Zn4  1  0.761  0.239  0.750  1.0
  Zn  Zn5  1  0.239  0.761  0.250  1.0
  Zn  Zn6  1  0.681  0.636  0.004  1.0
  Zn  Zn7  1  0.364  0.319  0.496  1.0
  Zn  Zn8  1  0.319  0.364  0.996  1.0
  Zn  Zn9  1  0.636  0.681  0.504  1.0
  O  O10  1  0.179  0.426  0.355  1.0
  O  O11  1  0.574  0.821  0.145  1.0
  O  O12  1  0.821  0.574  0.645  1.0
  O  O13  1  0.426  0.179  0.855  1.0
  O  O14  1  0.310  0.581  0.591  1.0
  O  O15  1  0.419  0.690  0.909  1.0
  O  O16  1  0.690  0.419  0.409  1.0
  O  O17  1  0.581  0.310  0.091  1.0
  O  O18  1  0.985  0.715  0.855  1.0
  O  O19  1  0.285  0.015  0.645  1.0
  O  O20  1  0.061  0.859  0.105  1.0
  O  O21  1  0.141  0.939  0.395  1.0
  O  O22  1  0.939  0.141  0.895  1.0
  O  O23  1  0.859  0.061  0.605  1.0
  O  O24  1  0.715  0.985  0.355  1.0
  O  O25  1  0.015  0.285  0.145  1.0
[/CIF]
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