The material structure described by ZnTa2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with six equivalent Zn(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second Ta site, Ta(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with six equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Zn(1) atom. In the third O site, O(3) 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_Ta2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.709
_cell_length_b   5.071
_cell_length_c   17.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   408.971
_cell_formula_units_Z   4
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  0.750  0.944  1.0
  Ta  Ta1  1  0.000  0.250  0.556  1.0
  Ta  Ta2  1  0.500  0.250  0.056  1.0
  Ta  Ta3  1  0.000  0.750  0.444  1.0
  Ta  Ta4  1  0.000  0.250  0.220  1.0
  Ta  Ta5  1  0.500  0.750  0.280  1.0
  Ta  Ta6  1  0.000  0.750  0.780  1.0
  Ta  Ta7  1  0.500  0.250  0.720  1.0
  Zn  Zn8  1  0.000  0.750  0.103  1.0
  Zn  Zn9  1  0.500  0.250  0.397  1.0
  Zn  Zn10  1  0.000  0.250  0.897  1.0
  Zn  Zn11  1  0.500  0.750  0.603  1.0
  O  O12  1  0.761  0.426  0.790  1.0
  O  O13  1  0.261  0.574  0.710  1.0
  O  O14  1  0.739  0.926  0.710  1.0
  O  O15  1  0.239  0.074  0.790  1.0
  O  O16  1  0.239  0.574  0.210  1.0
  O  O17  1  0.739  0.426  0.290  1.0
  O  O18  1  0.261  0.074  0.290  1.0
  O  O19  1  0.761  0.926  0.210  1.0
  O  O20  1  0.770  0.901  0.871  1.0
  O  O21  1  0.270  0.099  0.629  1.0
  O  O22  1  0.730  0.401  0.629  1.0
  O  O23  1  0.230  0.599  0.871  1.0
  O  O24  1  0.781  0.428  0.465  1.0
  O  O25  1  0.281  0.572  0.035  1.0
  O  O26  1  0.719  0.928  0.035  1.0
  O  O27  1  0.219  0.072  0.465  1.0
  O  O28  1  0.219  0.572  0.535  1.0
  O  O29  1  0.719  0.428  0.965  1.0
  O  O30  1  0.281  0.072  0.965  1.0
  O  O31  1  0.781  0.928  0.535  1.0
  O  O32  1  0.770  0.401  0.129  1.0
  O  O33  1  0.270  0.599  0.371  1.0
  O  O34  1  0.730  0.901  0.371  1.0
  O  O35  1  0.230  0.099  0.129  1.0
[/CIF]
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The material structure described by ZnTa2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with six equivalent Zn(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. In the second Ta site, Ta(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Ta(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with six equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(2) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Zn(1) atom. In the third O site, O(3) 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_Ta2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.709
_cell_length_b   5.071
_cell_length_c   17.129
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   408.971
_cell_formula_units_Z   4
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  0.750  0.944  1.0
  Ta  Ta1  1  0.000  0.250  0.556  1.0
  Ta  Ta2  1  0.500  0.250  0.056  1.0
  Ta  Ta3  1  0.000  0.750  0.444  1.0
  Ta  Ta4  1  0.000  0.250  0.220  1.0
  Ta  Ta5  1  0.500  0.750  0.280  1.0
  Ta  Ta6  1  0.000  0.750  0.780  1.0
  Ta  Ta7  1  0.500  0.250  0.720  1.0
  Zn  Zn8  1  0.000  0.750  0.103  1.0
  Zn  Zn9  1  0.500  0.250  0.397  1.0
  Zn  Zn10  1  0.000  0.250  0.897  1.0
  Zn  Zn11  1  0.500  0.750  0.603  1.0
  O  O12  1  0.761  0.426  0.790  1.0
  O  O13  1  0.261  0.574  0.710  1.0
  O  O14  1  0.739  0.926  0.710  1.0
  O  O15  1  0.239  0.074  0.790  1.0
  O  O16  1  0.239  0.574  0.210  1.0
  O  O17  1  0.739  0.426  0.290  1.0
  O  O18  1  0.261  0.074  0.290  1.0
  O  O19  1  0.761  0.926  0.210  1.0
  O  O20  1  0.770  0.901  0.871  1.0
  O  O21  1  0.270  0.099  0.629  1.0
  O  O22  1  0.730  0.401  0.629  1.0
  O  O23  1  0.230  0.599  0.871  1.0
  O  O24  1  0.781  0.428  0.465  1.0
  O  O25  1  0.281  0.572  0.035  1.0
  O  O26  1  0.719  0.928  0.035  1.0
  O  O27  1  0.219  0.072  0.465  1.0
  O  O28  1  0.219  0.572  0.535  1.0
  O  O29  1  0.719  0.428  0.965  1.0
  O  O30  1  0.281  0.072  0.965  1.0
  O  O31  1  0.781  0.928  0.535  1.0
  O  O32  1  0.770  0.401  0.129  1.0
  O  O33  1  0.270  0.599  0.371  1.0
  O  O34  1  0.730  0.901  0.371  1.0
  O  O35  1  0.230  0.099  0.129  1.0
[/CIF]
.