The compound 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(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. 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(6), one O(7), and one O(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-60°. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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(5) atom. In the twelfth O site, O(12) 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   4.965
_cell_length_b   5.329
_cell_length_c   7.496
_cell_angle_alpha   83.283
_cell_angle_beta   89.905
_cell_angle_gamma   89.275
_symmetry_Int_Tables_number   1
_cell_volume   196.975
_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  0.986  0.016  0.984  1.0
  V  V1  1  0.518  0.491  0.515  1.0
  V  V2  1  0.025  1.000  0.518  1.0
  V  V3  1  0.472  0.494  0.983  1.0
  V  V4  1  0.004  0.596  0.277  1.0
  O  O5  1  0.713  0.756  0.422  1.0
  O  O6  1  0.898  0.963  0.731  1.0
  O  O7  1  0.691  0.154  0.030  1.0
  O  O8  1  0.832  0.301  0.413  1.0
  O  O9  1  0.186  0.268  0.933  1.0
  O  O10  1  0.606  0.473  0.730  1.0
  O  O11  1  0.323  0.462  0.236  1.0
  O  O12  1  0.823  0.626  0.074  1.0
  O  O13  1  0.193  0.659  0.519  1.0
  O  O14  1  0.315  0.772  0.927  1.0
  O  O15  1  0.099  0.932  0.230  1.0
  O  O16  1  0.316  0.154  0.538  1.0
[/CIF]
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The compound 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(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-56°. 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(6), one O(7), and one O(9) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-60°. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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(5) atom. In the twelfth O site, O(12) 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   4.965
_cell_length_b   5.329
_cell_length_c   7.496
_cell_angle_alpha   83.283
_cell_angle_beta   89.905
_cell_angle_gamma   89.275
_symmetry_Int_Tables_number   1
_cell_volume   196.975
_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  0.986  0.016  0.984  1.0
  V  V1  1  0.518  0.491  0.515  1.0
  V  V2  1  0.025  1.000  0.518  1.0
  V  V3  1  0.472  0.494  0.983  1.0
  V  V4  1  0.004  0.596  0.277  1.0
  O  O5  1  0.713  0.756  0.422  1.0
  O  O6  1  0.898  0.963  0.731  1.0
  O  O7  1  0.691  0.154  0.030  1.0
  O  O8  1  0.832  0.301  0.413  1.0
  O  O9  1  0.186  0.268  0.933  1.0
  O  O10  1  0.606  0.473  0.730  1.0
  O  O11  1  0.323  0.462  0.236  1.0
  O  O12  1  0.823  0.626  0.074  1.0
  O  O13  1  0.193  0.659  0.519  1.0
  O  O14  1  0.315  0.772  0.927  1.0
  O  O15  1  0.099  0.932  0.230  1.0
  O  O16  1  0.316  0.154  0.538  1.0
[/CIF]
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