The material described by V6O13 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(3) atoms. In the second V site, V(2) is bonded to one O(5), two equivalent O(1), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to two equivalent V(2) atoms. In the second O site, O(1) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent V(2) atoms. In the fourth O site, O(3) is bonded to four equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.765
_cell_length_b   6.298
_cell_length_c   10.225
_cell_angle_alpha   86.845
_cell_angle_beta   79.390
_cell_angle_gamma   72.608
_symmetry_Int_Tables_number   1
_cell_volume   227.455
_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
  O  O0  1  0.251  0.696  0.302  1.0
  O  O1  1  0.053  0.696  0.698  1.0
  O  O2  1  0.320  0.359  0.500  1.0
  O  O3  1  0.525  0.355  0.096  1.0
  O  O4  1  0.680  0.641  0.500  1.0
  O  O5  1  0.880  0.645  0.096  1.0
  O  O6  1  0.475  0.645  0.904  1.0
  O  O7  1  0.198  0.000  0.105  1.0
  O  O8  1  0.120  0.355  0.904  1.0
  O  O9  1  0.000  1.000  0.500  1.0
  O  O10  1  0.749  0.304  0.698  1.0
  O  O11  1  0.802  1.000  0.895  1.0
  O  O12  1  0.947  0.304  0.302  1.0
  V  V13  1  0.965  0.704  0.866  1.0
  V  V14  1  0.331  0.704  0.134  1.0
  V  V15  1  0.149  0.701  0.500  1.0
  V  V16  1  0.851  0.299  0.500  1.0
  V  V17  1  0.035  0.296  0.134  1.0
  V  V18  1  0.669  0.296  0.866  1.0
[/CIF]
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The material described by V6O13 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(3) atoms. In the second V site, V(2) is bonded to one O(5), two equivalent O(1), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a linear geometry to two equivalent V(2) atoms. In the second O site, O(1) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent V(2) atoms. In the fourth O site, O(3) is bonded to four equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.765
_cell_length_b   6.298
_cell_length_c   10.225
_cell_angle_alpha   86.845
_cell_angle_beta   79.390
_cell_angle_gamma   72.608
_symmetry_Int_Tables_number   1
_cell_volume   227.455
_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
  O  O0  1  0.251  0.696  0.302  1.0
  O  O1  1  0.053  0.696  0.698  1.0
  O  O2  1  0.320  0.359  0.500  1.0
  O  O3  1  0.525  0.355  0.096  1.0
  O  O4  1  0.680  0.641  0.500  1.0
  O  O5  1  0.880  0.645  0.096  1.0
  O  O6  1  0.475  0.645  0.904  1.0
  O  O7  1  0.198  0.000  0.105  1.0
  O  O8  1  0.120  0.355  0.904  1.0
  O  O9  1  0.000  1.000  0.500  1.0
  O  O10  1  0.749  0.304  0.698  1.0
  O  O11  1  0.802  1.000  0.895  1.0
  O  O12  1  0.947  0.304  0.302  1.0
  V  V13  1  0.965  0.704  0.866  1.0
  V  V14  1  0.331  0.704  0.134  1.0
  V  V15  1  0.149  0.701  0.500  1.0
  V  V16  1  0.851  0.299  0.500  1.0
  V  V17  1  0.035  0.296  0.134  1.0
  V  V18  1  0.669  0.296  0.866  1.0
[/CIF]
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