The material described by Na2V6O13 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(7), and three equivalent O(5) atoms. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent V(1) atoms. In the sixth O site, O(6) is bonded to one V(2) and three equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the seventh O site, O(7) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form distorted edge-sharing ONa4V2 octahedra. is represented by the CIF file [CIF]
data_Na2V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   6.348
_cell_length_c   10.953
_cell_angle_alpha   80.874
_cell_angle_beta   80.874
_cell_angle_gamma   34.692
_symmetry_Int_Tables_number   1
_cell_volume   247.722
_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
  Na  Na0  1  0.947  0.947  0.663  1.0
  Na  Na1  1  0.053  0.053  0.337  1.0
  V  V2  1  0.351  0.351  0.457  1.0
  V  V3  1  0.409  0.409  0.107  1.0
  V  V4  1  0.287  0.287  0.868  1.0
  V  V5  1  0.713  0.713  0.132  1.0
  V  V6  1  0.591  0.591  0.893  1.0
  V  V7  1  0.649  0.649  0.543  1.0
  O  O8  1  0.392  0.392  0.300  1.0
  O  O9  1  0.431  0.431  0.926  1.0
  O  O10  1  0.883  0.883  0.121  1.0
  O  O11  1  0.333  0.333  0.715  1.0
  O  O12  1  0.182  0.182  0.500  1.0
  O  O13  1  0.244  0.244  0.092  1.0
  O  O14  1  0.756  0.756  0.908  1.0
  O  O15  1  0.818  0.818  0.500  1.0
  O  O16  1  0.667  0.667  0.285  1.0
  O  O17  1  0.117  0.117  0.879  1.0
  O  O18  1  0.569  0.569  0.074  1.0
  O  O19  1  0.608  0.608  0.700  1.0
  O  O20  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by Na2V6O13 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(7), and three equivalent O(5) atoms. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one V(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent V(1) atoms. In the sixth O site, O(6) is bonded to one V(2) and three equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the seventh O site, O(7) is bonded to four equivalent Na(1) and two equivalent V(1) atoms to form distorted edge-sharing ONa4V2 octahedra. is represented by the CIF file [CIF]
data_Na2V6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.348
_cell_length_b   6.348
_cell_length_c   10.953
_cell_angle_alpha   80.874
_cell_angle_beta   80.874
_cell_angle_gamma   34.692
_symmetry_Int_Tables_number   1
_cell_volume   247.722
_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
  Na  Na0  1  0.947  0.947  0.663  1.0
  Na  Na1  1  0.053  0.053  0.337  1.0
  V  V2  1  0.351  0.351  0.457  1.0
  V  V3  1  0.409  0.409  0.107  1.0
  V  V4  1  0.287  0.287  0.868  1.0
  V  V5  1  0.713  0.713  0.132  1.0
  V  V6  1  0.591  0.591  0.893  1.0
  V  V7  1  0.649  0.649  0.543  1.0
  O  O8  1  0.392  0.392  0.300  1.0
  O  O9  1  0.431  0.431  0.926  1.0
  O  O10  1  0.883  0.883  0.121  1.0
  O  O11  1  0.333  0.333  0.715  1.0
  O  O12  1  0.182  0.182  0.500  1.0
  O  O13  1  0.244  0.244  0.092  1.0
  O  O14  1  0.756  0.756  0.908  1.0
  O  O15  1  0.818  0.818  0.500  1.0
  O  O16  1  0.667  0.667  0.285  1.0
  O  O17  1  0.117  0.117  0.879  1.0
  O  O18  1  0.569  0.569  0.074  1.0
  O  O19  1  0.608  0.608  0.700  1.0
  O  O20  1  0.500  0.500  0.500  1.0
[/CIF]
.