The material structure described by V6Zn(FeO6)4 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(6), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. In the second V site, V(2) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-63°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(6), one O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. Zn(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form ZnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(2) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(2) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(1) atoms. In the eleventh O site, O(10) is bonded in a trigonal planar geometry to one V(2), one Fe(1), and one Zn(1) atom. In the twelfth O site, O(11) is bonded in a bent 120 degrees geometry to one V(3) and one Zn(1) atom. is represented by the CIF file [CIF]
data_V6Zn(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.748
_cell_length_b   8.320
_cell_length_c   10.003
_cell_angle_alpha   107.203
_cell_angle_beta   105.228
_cell_angle_gamma   103.661
_symmetry_Int_Tables_number   1
_cell_volume   486.744
_cell_formula_units_Z   1
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  0.888  0.891  0.661  1.0
  V  V1  1  0.112  0.109  0.339  1.0
  V  V2  1  0.206  0.662  0.267  1.0
  V  V3  1  0.794  0.338  0.733  1.0
  V  V4  1  0.609  0.258  0.137  1.0
  V  V5  1  0.391  0.742  0.863  1.0
  Zn  Zn6  1  0.000  0.500  0.500  1.0
  Fe  Fe7  1  0.375  0.961  0.606  1.0
  Fe  Fe8  1  0.625  0.039  0.394  1.0
  Fe  Fe9  1  0.050  0.206  0.012  1.0
  Fe  Fe10  1  0.950  0.794  0.988  1.0
  O  O11  1  0.069  0.058  0.144  1.0
  O  O12  1  0.931  0.942  0.856  1.0
  O  O13  1  0.554  0.109  0.224  1.0
  O  O14  1  0.446  0.891  0.776  1.0
  O  O15  1  0.168  0.441  0.178  1.0
  O  O16  1  0.832  0.559  0.822  1.0
  O  O17  1  0.990  0.278  0.841  1.0
  O  O18  1  0.010  0.722  0.159  1.0
  O  O19  1  0.242  0.804  0.979  1.0
  O  O20  1  0.758  0.196  0.021  1.0
  O  O21  1  0.882  0.995  0.358  1.0
  O  O22  1  0.118  0.005  0.642  1.0
  O  O23  1  0.543  0.219  0.729  1.0
  O  O24  1  0.457  0.781  0.271  1.0
  O  O25  1  0.357  0.253  0.027  1.0
  O  O26  1  0.643  0.747  0.973  1.0
  O  O27  1  0.340  0.049  0.431  1.0
  O  O28  1  0.660  0.951  0.569  1.0
  O  O29  1  0.211  0.712  0.457  1.0
  O  O30  1  0.789  0.288  0.543  1.0
  O  O31  1  0.773  0.457  0.283  1.0
  O  O32  1  0.227  0.543  0.717  1.0
  O  O33  1  0.147  0.327  0.417  1.0
  O  O34  1  0.853  0.673  0.583  1.0
[/CIF]
.
The material structure described by V6Zn(FeO6)4 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(6), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. In the second V site, V(2) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-63°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(6), one O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. Zn(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form ZnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(2) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(2) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(1) atoms. In the eleventh O site, O(10) is bonded in a trigonal planar geometry to one V(2), one Fe(1), and one Zn(1) atom. In the twelfth O site, O(11) is bonded in a bent 120 degrees geometry to one V(3) and one Zn(1) atom. is represented by the CIF file [CIF]
data_V6Zn(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.748
_cell_length_b   8.320
_cell_length_c   10.003
_cell_angle_alpha   107.203
_cell_angle_beta   105.228
_cell_angle_gamma   103.661
_symmetry_Int_Tables_number   1
_cell_volume   486.744
_cell_formula_units_Z   1
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  0.888  0.891  0.661  1.0
  V  V1  1  0.112  0.109  0.339  1.0
  V  V2  1  0.206  0.662  0.267  1.0
  V  V3  1  0.794  0.338  0.733  1.0
  V  V4  1  0.609  0.258  0.137  1.0
  V  V5  1  0.391  0.742  0.863  1.0
  Zn  Zn6  1  0.000  0.500  0.500  1.0
  Fe  Fe7  1  0.375  0.961  0.606  1.0
  Fe  Fe8  1  0.625  0.039  0.394  1.0
  Fe  Fe9  1  0.050  0.206  0.012  1.0
  Fe  Fe10  1  0.950  0.794  0.988  1.0
  O  O11  1  0.069  0.058  0.144  1.0
  O  O12  1  0.931  0.942  0.856  1.0
  O  O13  1  0.554  0.109  0.224  1.0
  O  O14  1  0.446  0.891  0.776  1.0
  O  O15  1  0.168  0.441  0.178  1.0
  O  O16  1  0.832  0.559  0.822  1.0
  O  O17  1  0.990  0.278  0.841  1.0
  O  O18  1  0.010  0.722  0.159  1.0
  O  O19  1  0.242  0.804  0.979  1.0
  O  O20  1  0.758  0.196  0.021  1.0
  O  O21  1  0.882  0.995  0.358  1.0
  O  O22  1  0.118  0.005  0.642  1.0
  O  O23  1  0.543  0.219  0.729  1.0
  O  O24  1  0.457  0.781  0.271  1.0
  O  O25  1  0.357  0.253  0.027  1.0
  O  O26  1  0.643  0.747  0.973  1.0
  O  O27  1  0.340  0.049  0.431  1.0
  O  O28  1  0.660  0.951  0.569  1.0
  O  O29  1  0.211  0.712  0.457  1.0
  O  O30  1  0.789  0.288  0.543  1.0
  O  O31  1  0.773  0.457  0.283  1.0
  O  O32  1  0.227  0.543  0.717  1.0
  O  O33  1  0.147  0.327  0.417  1.0
  O  O34  1  0.853  0.673  0.583  1.0
[/CIF]
.