The crystal structure described by NaV6O11 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted face and corner-sharing VO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. In the third V site, V(3) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(3) and three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_NaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.875
_cell_length_c   13.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   409.292
_cell_formula_units_Z   2
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  0.667  0.333  0.750  1.0
  Na  Na1  1  0.333  0.667  0.250  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.150  1.0
  V  V4  1  0.000  0.000  0.650  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.500  0.500  0.500  1.0
  V  V7  1  0.000  0.000  0.350  1.0
  V  V8  1  0.000  0.000  0.850  1.0
  V  V9  1  0.000  0.500  0.000  1.0
  V  V10  1  0.667  0.333  0.250  1.0
  V  V11  1  0.000  0.500  0.500  1.0
  V  V12  1  0.333  0.667  0.750  1.0
  V  V13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.661  0.831  0.427  1.0
  O  O15  1  0.169  0.831  0.073  1.0
  O  O16  1  0.734  0.867  0.250  1.0
  O  O17  1  0.266  0.133  0.750  1.0
  O  O18  1  0.133  0.867  0.250  1.0
  O  O19  1  0.133  0.266  0.250  1.0
  O  O20  1  0.339  0.169  0.927  1.0
  O  O21  1  0.169  0.339  0.073  1.0
  O  O22  1  0.831  0.661  0.573  1.0
  O  O23  1  0.831  0.169  0.927  1.0
  O  O24  1  0.867  0.133  0.750  1.0
  O  O25  1  0.333  0.667  0.587  1.0
  O  O26  1  0.169  0.339  0.427  1.0
  O  O27  1  0.169  0.831  0.427  1.0
  O  O28  1  0.831  0.169  0.573  1.0
  O  O29  1  0.667  0.333  0.087  1.0
  O  O30  1  0.661  0.831  0.073  1.0
  O  O31  1  0.831  0.661  0.927  1.0
  O  O32  1  0.339  0.169  0.573  1.0
  O  O33  1  0.333  0.667  0.913  1.0
  O  O34  1  0.667  0.333  0.413  1.0
  O  O35  1  0.867  0.734  0.750  1.0
[/CIF]
.
The crystal structure described by NaV6O11 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. In the second V site, V(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted face and corner-sharing VO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. In the third V site, V(3) is bonded in a linear geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(3) and three equivalent V(1) atoms. is represented by the CIF card [CIF]
data_NaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.875
_cell_length_c   13.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   409.292
_cell_formula_units_Z   2
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  0.667  0.333  0.750  1.0
  Na  Na1  1  0.333  0.667  0.250  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.150  1.0
  V  V4  1  0.000  0.000  0.650  1.0
  V  V5  1  0.500  0.500  0.000  1.0
  V  V6  1  0.500  0.500  0.500  1.0
  V  V7  1  0.000  0.000  0.350  1.0
  V  V8  1  0.000  0.000  0.850  1.0
  V  V9  1  0.000  0.500  0.000  1.0
  V  V10  1  0.667  0.333  0.250  1.0
  V  V11  1  0.000  0.500  0.500  1.0
  V  V12  1  0.333  0.667  0.750  1.0
  V  V13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.661  0.831  0.427  1.0
  O  O15  1  0.169  0.831  0.073  1.0
  O  O16  1  0.734  0.867  0.250  1.0
  O  O17  1  0.266  0.133  0.750  1.0
  O  O18  1  0.133  0.867  0.250  1.0
  O  O19  1  0.133  0.266  0.250  1.0
  O  O20  1  0.339  0.169  0.927  1.0
  O  O21  1  0.169  0.339  0.073  1.0
  O  O22  1  0.831  0.661  0.573  1.0
  O  O23  1  0.831  0.169  0.927  1.0
  O  O24  1  0.867  0.133  0.750  1.0
  O  O25  1  0.333  0.667  0.587  1.0
  O  O26  1  0.169  0.339  0.427  1.0
  O  O27  1  0.169  0.831  0.427  1.0
  O  O28  1  0.831  0.169  0.573  1.0
  O  O29  1  0.667  0.333  0.087  1.0
  O  O30  1  0.661  0.831  0.073  1.0
  O  O31  1  0.831  0.661  0.927  1.0
  O  O32  1  0.339  0.169  0.573  1.0
  O  O33  1  0.333  0.667  0.913  1.0
  O  O34  1  0.667  0.333  0.413  1.0
  O  O35  1  0.867  0.734  0.750  1.0
[/CIF]
.