The material described by V5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-52°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing VO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.591
_cell_length_b   6.591
_cell_length_c   5.864
_cell_angle_alpha   74.897
_cell_angle_beta   105.102
_cell_angle_gamma   99.568
_symmetry_Int_Tables_number   1
_cell_volume   236.073
_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  0.187  0.630  0.743  1.0
  V  V1  1  0.388  0.788  0.270  1.0
  V  V2  1  0.630  0.187  0.757  1.0
  V  V3  1  0.788  0.388  0.230  1.0
  V  V4  1  0.930  0.930  0.250  1.0
  O  O5  1  0.021  0.824  0.578  1.0
  O  O6  1  0.037  0.411  0.760  1.0
  O  O7  1  0.219  0.971  0.202  1.0
  O  O8  1  0.362  0.628  0.555  1.0
  O  O9  1  0.411  0.037  0.740  1.0
  O  O10  1  0.322  0.637  0.050  1.0
  O  O11  1  0.628  0.362  0.945  1.0
  O  O12  1  0.639  0.903  0.292  1.0
  O  O13  1  0.637  0.322  0.450  1.0
  O  O14  1  0.824  0.021  0.922  1.0
  O  O15  1  0.903  0.639  0.208  1.0
  O  O16  1  0.971  0.219  0.298  1.0
[/CIF]
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The material described by V5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-52°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing VO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.591
_cell_length_b   6.591
_cell_length_c   5.864
_cell_angle_alpha   74.897
_cell_angle_beta   105.102
_cell_angle_gamma   99.568
_symmetry_Int_Tables_number   1
_cell_volume   236.073
_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  0.187  0.630  0.743  1.0
  V  V1  1  0.388  0.788  0.270  1.0
  V  V2  1  0.630  0.187  0.757  1.0
  V  V3  1  0.788  0.388  0.230  1.0
  V  V4  1  0.930  0.930  0.250  1.0
  O  O5  1  0.021  0.824  0.578  1.0
  O  O6  1  0.037  0.411  0.760  1.0
  O  O7  1  0.219  0.971  0.202  1.0
  O  O8  1  0.362  0.628  0.555  1.0
  O  O9  1  0.411  0.037  0.740  1.0
  O  O10  1  0.322  0.637  0.050  1.0
  O  O11  1  0.628  0.362  0.945  1.0
  O  O12  1  0.639  0.903  0.292  1.0
  O  O13  1  0.637  0.322  0.450  1.0
  O  O14  1  0.824  0.021  0.922  1.0
  O  O15  1  0.903  0.639  0.208  1.0
  O  O16  1  0.971  0.219  0.298  1.0
[/CIF]
.