The material described by BiZn2VO6 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-63°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent Zn(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Zn(2), two equivalent Zn(1), and one Bi(1) atom to form edge-sharing OZn3Bi tetrahedra. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one V(1), one Zn(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   6.937
_cell_length_c   7.032
_cell_angle_alpha   80.781
_cell_angle_beta   79.048
_cell_angle_gamma   80.806
_symmetry_Int_Tables_number   1
_cell_volume   271.666
_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
  V  V0  1  0.774  0.196  0.386  1.0
  V  V1  1  0.226  0.804  0.614  1.0
  Zn  Zn2  1  0.726  0.091  0.908  1.0
  Zn  Zn3  1  0.274  0.909  0.092  1.0
  Zn  Zn4  1  0.281  0.388  0.173  1.0
  Zn  Zn5  1  0.719  0.612  0.827  1.0
  Bi  Bi6  1  0.782  0.702  0.285  1.0
  Bi  Bi7  1  0.218  0.298  0.715  1.0
  O  O8  1  0.865  0.340  0.880  1.0
  O  O9  1  0.135  0.660  0.120  1.0
  O  O10  1  0.862  0.014  0.221  1.0
  O  O11  1  0.138  0.986  0.779  1.0
  O  O12  1  0.359  0.191  0.993  1.0
  O  O13  1  0.641  0.809  0.007  1.0
  O  O14  1  0.337  0.906  0.383  1.0
  O  O15  1  0.663  0.094  0.617  1.0
  O  O16  1  0.012  0.317  0.397  1.0
  O  O17  1  0.988  0.683  0.603  1.0
  O  O18  1  0.445  0.618  0.691  1.0
  O  O19  1  0.555  0.382  0.309  1.0
[/CIF]
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The material described by BiZn2VO6 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-63°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), two equivalent Zn(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Zn(2), two equivalent Zn(1), and one Bi(1) atom to form edge-sharing OZn3Bi tetrahedra. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one V(1), one Zn(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one V(1), one Zn(2), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   6.937
_cell_length_c   7.032
_cell_angle_alpha   80.781
_cell_angle_beta   79.048
_cell_angle_gamma   80.806
_symmetry_Int_Tables_number   1
_cell_volume   271.666
_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
  V  V0  1  0.774  0.196  0.386  1.0
  V  V1  1  0.226  0.804  0.614  1.0
  Zn  Zn2  1  0.726  0.091  0.908  1.0
  Zn  Zn3  1  0.274  0.909  0.092  1.0
  Zn  Zn4  1  0.281  0.388  0.173  1.0
  Zn  Zn5  1  0.719  0.612  0.827  1.0
  Bi  Bi6  1  0.782  0.702  0.285  1.0
  Bi  Bi7  1  0.218  0.298  0.715  1.0
  O  O8  1  0.865  0.340  0.880  1.0
  O  O9  1  0.135  0.660  0.120  1.0
  O  O10  1  0.862  0.014  0.221  1.0
  O  O11  1  0.138  0.986  0.779  1.0
  O  O12  1  0.359  0.191  0.993  1.0
  O  O13  1  0.641  0.809  0.007  1.0
  O  O14  1  0.337  0.906  0.383  1.0
  O  O15  1  0.663  0.094  0.617  1.0
  O  O16  1  0.012  0.317  0.397  1.0
  O  O17  1  0.988  0.683  0.603  1.0
  O  O18  1  0.445  0.618  0.691  1.0
  O  O19  1  0.555  0.382  0.309  1.0
[/CIF]
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