The crystal structure described by V5O12 crystallizes in the triclinic P1 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted edge-sharing VO6 octahedra. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted edge-sharing VO6 octahedra. In the fifth V site, V(5) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one V(2) and one V(5) atom. In the second O site, O(2) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one V(5) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one V(2) and one V(5) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one V(3) and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(4) atom. is represented by the CIF card [CIF]
data_V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.973
_cell_length_b   4.970
_cell_length_c   9.036
_cell_angle_alpha   87.081
_cell_angle_beta   92.023
_cell_angle_gamma   67.526
_symmetry_Int_Tables_number   1
_cell_volume   205.732
_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  0.064  0.042  0.260  1.0
  V  V1  1  0.036  0.478  0.969  1.0
  V  V2  1  0.481  0.043  0.529  1.0
  V  V3  1  0.432  0.434  0.238  1.0
  V  V4  1  0.600  0.604  0.749  1.0
  O  O5  1  0.913  0.277  0.848  1.0
  O  O6  1  0.280  0.918  0.654  1.0
  O  O7  1  0.199  0.290  0.384  1.0
  O  O8  1  0.280  0.195  0.117  1.0
  O  O9  1  0.296  0.532  0.872  1.0
  O  O10  1  0.539  0.298  0.625  1.0
  O  O11  1  0.377  0.763  0.362  1.0
  O  O12  1  0.752  0.395  0.145  1.0
  O  O13  1  0.694  0.789  0.894  1.0
  O  O14  1  0.790  0.694  0.605  1.0
  O  O15  1  0.753  0.077  0.362  1.0
  O  O16  1  0.093  0.748  0.138  1.0
[/CIF]
.
The crystal structure described by V5O12 crystallizes in the triclinic P1 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted edge-sharing VO6 octahedra. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted edge-sharing VO6 octahedra. In the fifth V site, V(5) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one V(2) and one V(5) atom. In the second O site, O(2) is bonded in a water-like geometry to one V(3) and one V(5) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one V(5) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one V(2) and one V(5) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one V(3) and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(4) atom. is represented by the CIF card [CIF]
data_V5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.973
_cell_length_b   4.970
_cell_length_c   9.036
_cell_angle_alpha   87.081
_cell_angle_beta   92.023
_cell_angle_gamma   67.526
_symmetry_Int_Tables_number   1
_cell_volume   205.732
_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  0.064  0.042  0.260  1.0
  V  V1  1  0.036  0.478  0.969  1.0
  V  V2  1  0.481  0.043  0.529  1.0
  V  V3  1  0.432  0.434  0.238  1.0
  V  V4  1  0.600  0.604  0.749  1.0
  O  O5  1  0.913  0.277  0.848  1.0
  O  O6  1  0.280  0.918  0.654  1.0
  O  O7  1  0.199  0.290  0.384  1.0
  O  O8  1  0.280  0.195  0.117  1.0
  O  O9  1  0.296  0.532  0.872  1.0
  O  O10  1  0.539  0.298  0.625  1.0
  O  O11  1  0.377  0.763  0.362  1.0
  O  O12  1  0.752  0.395  0.145  1.0
  O  O13  1  0.694  0.789  0.894  1.0
  O  O14  1  0.790  0.694  0.605  1.0
  O  O15  1  0.753  0.077  0.362  1.0
  O  O16  1  0.093  0.748  0.138  1.0
[/CIF]
.