data_V2TcO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2TcO4
_chemical_formula_sum   'V4 Tc2 O8'
_cell_volume   162.32
_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  0.25  0.25  0.41  1.0
  V  V11  1  0.25  0.41  0.25  1.0
  V  V12  1  0.41  0.25  0.25  1.0
  V  V13  1  0.41  0.41  0.41  1.0
  Tc  Tc8  1  0.0  0.0  0.0  1.0
  Tc  Tc9  1  0.16  0.16  0.16  1.0
  O  O0  1  0.36  0.36  0.36  1.0
  O  O1  1  0.36  0.3  0.3  1.0
  O  O2  1  0.3  0.36  0.3  1.0
  O  O3  1  0.52  0.52  0.47  1.0
  O  O4  1  0.3  0.3  0.36  1.0
  O  O5  1  0.52  0.47  0.52  1.0
  O  O6  1  0.47  0.47  0.47  1.0
  O  O7  1  0.47  0.52  0.52  1.0

data_V2TcO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   15.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V2TcO4
_chemical_formula_sum   'V12 Tc6 O24'
_cell_volume   486.96
_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  0.05  0.11  0.7  1.0
  V  V1  3  0.0  0.0  0.59  1.0
  Tc  Tc2  3  0.0  0.0  0.0  1.0
  Tc  Tc3  3  0.0  0.0  0.84  1.0
  O  O4  9  0.02  0.04  0.68  1.0
  O  O5  9  0.04  0.02  0.5  1.0
  O  O6  3  0.0  0.0  0.53  1.0
  O  O7  3  0.0  0.0  0.64  1.0

V V V V Tc Tc O O O O O O O O
V V V V Tc Tc O O O O O O O O 0 10 o o o 0 4 o o + 0 5 o o o 1 8 o o o 1 4 o + o 1 5 o o o 2 7 o o o 2 4 + o o 2 5 o o o 3 6 o o o 3 12 o o o 3 4 + o o 3 4 o + o 3 4 o o + 4 10 - o o 4 10 o - o 4 10 o o - 4 8 - o o 4 8 o - o 4 8 o o - 4 7 - o o 4 7 o - o 4 7 o o - 4 6 - o o 4 6 o - o 4 6 o o - 4 5 o o o 5 10 o o o 5 8 o o o 5 7 o o o 6 10 o o o 6 7 o o o 6 8 o o o 7 10 o o o 7 8 o o o 8 10 o o o 9 11 o o o 9 13 o o o 9 12 o o o 11 13 o o o 11 12 o o o 12 13 o o o 
V2TcO4 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 Tc(1), one Tc(2), and one O(2) atom. The V(1)-Tc(1) bond length is 2.99 Å. The V(1)-Tc(2) bond length is 2.14 Å. The V(1)-O(2) bond length is 0.48 Å. In the second V site, V(2) is bonded in a linear geometry to one O(1) and one O(4) atom. The V(2)-O(1) bond length is 0.84 Å. The V(2)-O(4) bond length is 0.84 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent V(1) and one Tc(2) atom. The Tc(1)-Tc(2) bond length is 2.47 Å. In the second Tc site, Tc(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent V(1) and one Tc(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2) and three equivalent O(2) atoms. All O(1)-O(2) bond lengths are 0.57 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1), one O(1), and two equivalent O(2) atoms. Both O(2)-O(2) bond lengths are 0.33 Å. In the third O site, O(3) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. The O(3)-O(4) bond length is 0.57 Å. Both O(3)-O(3) bond lengths are 0.33 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one V(2) and three equivalent O(3) atoms.