The material structure described by VWZn2O6 crystallizes in the trigonal R3 space group. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one W(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OVZn2W tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one W(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_VZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.593
_cell_length_b   5.593
_cell_length_c   5.593
_cell_angle_alpha   56.559
_cell_angle_beta   56.559
_cell_angle_gamma   56.559
_symmetry_Int_Tables_number   1
_cell_volume   113.867
_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  0.496  0.496  0.496  1.0
  Zn  Zn1  1  0.778  0.778  0.778  1.0
  Zn  Zn2  1  0.253  0.253  0.253  1.0
  W  W3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.625  0.220  0.895  1.0
  O  O5  1  0.369  0.760  0.097  1.0
  O  O6  1  0.097  0.369  0.760  1.0
  O  O7  1  0.760  0.097  0.369  1.0
  O  O8  1  0.220  0.895  0.625  1.0
  O  O9  1  0.895  0.625  0.220  1.0
[/CIF]
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The material structure described by VWZn2O6 crystallizes in the trigonal R3 space group. V(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. W(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one W(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OVZn2W tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one W(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_VZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.593
_cell_length_b   5.593
_cell_length_c   5.593
_cell_angle_alpha   56.559
_cell_angle_beta   56.559
_cell_angle_gamma   56.559
_symmetry_Int_Tables_number   1
_cell_volume   113.867
_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  0.496  0.496  0.496  1.0
  Zn  Zn1  1  0.778  0.778  0.778  1.0
  Zn  Zn2  1  0.253  0.253  0.253  1.0
  W  W3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.625  0.220  0.895  1.0
  O  O5  1  0.369  0.760  0.097  1.0
  O  O6  1  0.097  0.369  0.760  1.0
  O  O7  1  0.760  0.097  0.369  1.0
  O  O8  1  0.220  0.895  0.625  1.0
  O  O9  1  0.895  0.625  0.220  1.0
[/CIF]
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