data_V2TeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TeO4
_chemical_formula_sum   'V4 Te2 O8'
_cell_volume   180.39
_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  V10  1  0.36  0.36  0.61  1.0
  V  V11  1  0.61  0.36  0.36  1.0
  V  V12  1  0.61  0.61  0.61  1.0
  V  V13  1  0.36  0.61  0.36  1.0
  Te  Te8  1  0.0  0.0  0.0  1.0
  Te  Te9  1  0.24  0.24  0.24  1.0
  O  O0  1  0.45  0.45  0.45  1.0
  O  O1  1  0.45  0.52  0.52  1.0
  O  O2  1  0.52  0.45  0.52  1.0
  O  O3  1  0.69  0.69  0.76  1.0
  O  O4  1  0.52  0.52  0.45  1.0
  O  O5  1  0.69  0.76  0.69  1.0
  O  O6  1  0.76  0.76  0.76  1.0
  O  O7  1  0.76  0.69  0.69  1.0

data_V2TeO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   15.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V2TeO4
_chemical_formula_sum   'V12 Te6 O24'
_cell_volume   541.16
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.08  0.16  0.56  1.0
  V  V1  3  0.0  0.0  0.39  1.0
  Te  Te2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.76  1.0
  O  O4  9  0.02  0.98  0.29  1.0
  O  O5  9  0.05  0.02  0.5  1.0
  O  O6  3  0.0  0.0  0.24  1.0
  O  O7  3  0.0  0.0  0.55  1.0

V V V V Te Te O O O O O O O O
V2TeO4 crystallizes in the trigonal R3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Te(1), two equivalent Te(2), one O(1), and two equivalent O(2) atoms. The V(1)-Te(1) bond length is 3.27 Å. There is one shorter (3.26 Å) and one longer (3.44 Å) V(1)-Te(2) bond length. The V(1)-O(1) bond length is 0.89 Å. Both V(1)-O(2) bond lengths are 1.14 Å. In the second V site, V(2) is bonded in a hexagonal planar geometry to three equivalent O(2) and three equivalent O(3) atoms. All V(2)-O(2) bond lengths are 1.71 Å. All V(2)-O(3) bond lengths are 1.71 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to six equivalent V(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent V(1) and three equivalent O(2) atoms. All O(1)-O(2) bond lengths are 0.82 Å. In the second O site, O(2) is bonded in a 6-coordinate geometry to one V(2), two equivalent V(1), one O(1), and two equivalent O(2) atoms. Both O(2)-O(2) bond lengths are 0.47 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(2), one O(4), and two equivalent O(3) atoms. The O(3)-O(4) bond length is 0.82 Å. Both O(3)-O(3) bond lengths are 0.47 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms.