The crystal structure described by Ta2VZn2O8 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 V(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(3) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first 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. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent V(1) atoms. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2VZn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   5.954
_cell_length_c   10.216
_cell_angle_alpha   73.084
_cell_angle_beta   89.920
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   309.613
_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
  O  O0  1  0.934  0.184  0.859  1.0
  O  O1  1  0.567  0.042  0.142  1.0
  O  O2  1  0.067  0.814  0.142  1.0
  O  O3  1  0.435  0.955  0.859  1.0
  O  O4  1  0.404  0.432  0.881  1.0
  O  O5  1  0.097  0.313  0.120  1.0
  O  O6  1  0.597  0.565  0.120  1.0
  O  O7  1  0.904  0.684  0.881  1.0
  O  O8  1  0.572  0.280  0.646  1.0
  O  O9  1  0.931  0.926  0.355  1.0
  O  O10  1  0.072  0.070  0.647  1.0
  O  O11  1  0.430  0.717  0.355  1.0
  O  O12  1  0.644  0.842  0.612  1.0
  O  O13  1  0.859  0.454  0.389  1.0
  O  O14  1  0.359  0.154  0.389  1.0
  O  O15  1  0.144  0.542  0.612  1.0
  Ta  Ta16  1  0.269  0.269  0.769  1.0
  Ta  Ta17  1  0.233  0.038  0.232  1.0
  Ta  Ta18  1  0.733  0.728  0.233  1.0
  Ta  Ta19  1  0.769  0.959  0.769  1.0
  V  V20  1  0.251  0.642  0.001  1.0
  V  V21  1  0.751  0.355  0.001  1.0
  Zn  Zn22  1  0.229  0.434  0.436  1.0
  Zn  Zn23  1  0.273  0.869  0.565  1.0
  Zn  Zn24  1  0.773  0.563  0.565  1.0
  Zn  Zn25  1  0.729  0.128  0.436  1.0
[/CIF]
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The crystal structure described by Ta2VZn2O8 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 V(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(3) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first 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. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent V(1) atoms. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2VZn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   5.954
_cell_length_c   10.216
_cell_angle_alpha   73.084
_cell_angle_beta   89.920
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   309.613
_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
  O  O0  1  0.934  0.184  0.859  1.0
  O  O1  1  0.567  0.042  0.142  1.0
  O  O2  1  0.067  0.814  0.142  1.0
  O  O3  1  0.435  0.955  0.859  1.0
  O  O4  1  0.404  0.432  0.881  1.0
  O  O5  1  0.097  0.313  0.120  1.0
  O  O6  1  0.597  0.565  0.120  1.0
  O  O7  1  0.904  0.684  0.881  1.0
  O  O8  1  0.572  0.280  0.646  1.0
  O  O9  1  0.931  0.926  0.355  1.0
  O  O10  1  0.072  0.070  0.647  1.0
  O  O11  1  0.430  0.717  0.355  1.0
  O  O12  1  0.644  0.842  0.612  1.0
  O  O13  1  0.859  0.454  0.389  1.0
  O  O14  1  0.359  0.154  0.389  1.0
  O  O15  1  0.144  0.542  0.612  1.0
  Ta  Ta16  1  0.269  0.269  0.769  1.0
  Ta  Ta17  1  0.233  0.038  0.232  1.0
  Ta  Ta18  1  0.733  0.728  0.233  1.0
  Ta  Ta19  1  0.769  0.959  0.769  1.0
  V  V20  1  0.251  0.642  0.001  1.0
  V  V21  1  0.751  0.355  0.001  1.0
  Zn  Zn22  1  0.229  0.434  0.436  1.0
  Zn  Zn23  1  0.273  0.869  0.565  1.0
  Zn  Zn24  1  0.773  0.563  0.565  1.0
  Zn  Zn25  1  0.729  0.128  0.436  1.0
[/CIF]
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