The structure described by NaV6O11 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded in a 12-coordinate geometry to one O(1), one O(6), two equivalent O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(2) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(2)O5 trigonal bipyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(3), one O(5), one O(8), and two equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-56°. In the third V site, V(3) is bonded to one O(1), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth V site, V(4) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth V site, V(5) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(2), one V(5), and two equivalent V(1) atoms. In the second O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one V(4), and two equivalent V(1) atoms. In the third O site, O(7) is bonded to one Na(1), one V(1), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing ONaV3 trigonal pyramids. In the fourth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Na(1), one V(2), one V(3), and one V(4) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one V(3), and two equivalent V(1) atoms. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1), one V(2), one V(3), and one V(4) atom. In the seventh O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), one V(5), and two equivalent V(1) atoms. In the eighth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one V(1), one V(3), and one V(5) atom. is represented by the CIF card [CIF]
data_NaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   13.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.369
_symmetry_Int_Tables_number   1
_cell_volume   373.599
_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  0.658  0.342  0.235  1.0
  Na  Na1  1  0.342  0.658  0.735  1.0
  V  V2  1  0.495  0.996  0.001  1.0
  V  V3  1  0.669  0.331  0.759  1.0
  V  V4  1  0.004  0.505  0.001  1.0
  V  V5  1  0.999  0.001  0.853  1.0
  V  V6  1  0.997  0.003  0.148  1.0
  V  V7  1  0.003  0.997  0.648  1.0
  V  V8  1  0.495  0.505  0.001  1.0
  V  V9  1  0.331  0.669  0.259  1.0
  V  V10  1  0.505  0.004  0.501  1.0
  V  V11  1  0.505  0.495  0.501  1.0
  V  V12  1  0.001  0.999  0.353  1.0
  V  V13  1  0.996  0.495  0.501  1.0
  O  O14  1  0.169  0.831  0.919  1.0
  O  O15  1  0.303  0.160  0.750  1.0
  O  O16  1  0.668  0.332  0.588  1.0
  O  O17  1  0.339  0.166  0.420  1.0
  O  O18  1  0.166  0.339  0.920  1.0
  O  O19  1  0.334  0.666  0.413  1.0
  O  O20  1  0.173  0.827  0.581  1.0
  O  O21  1  0.171  0.339  0.578  1.0
  O  O22  1  0.666  0.334  0.913  1.0
  O  O23  1  0.339  0.171  0.078  1.0
  O  O24  1  0.845  0.155  0.747  1.0
  O  O25  1  0.834  0.661  0.420  1.0
  O  O26  1  0.827  0.173  0.081  1.0
  O  O27  1  0.831  0.169  0.419  1.0
  O  O28  1  0.332  0.668  0.088  1.0
  O  O29  1  0.697  0.840  0.250  1.0
  O  O30  1  0.829  0.661  0.078  1.0
  O  O31  1  0.840  0.697  0.750  1.0
  O  O32  1  0.155  0.845  0.247  1.0
  O  O33  1  0.160  0.303  0.250  1.0
  O  O34  1  0.661  0.834  0.920  1.0
  O  O35  1  0.661  0.829  0.578  1.0
[/CIF]
.
The structure described by NaV6O11 crystallizes in the orthorhombic Cmc2_1 space group. Na(1) is bonded in a 12-coordinate geometry to one O(1), one O(6), two equivalent O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(2) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(2)O5 trigonal bipyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second V site, V(2) is bonded to one O(3), one O(5), one O(8), and two equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-56°. In the third V site, V(3) is bonded to one O(1), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth V site, V(4) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth V site, V(5) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(2)O5 trigonal bipyramids, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(2), one V(5), and two equivalent V(1) atoms. In the second O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one V(4), and two equivalent V(1) atoms. In the third O site, O(7) is bonded to one Na(1), one V(1), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing ONaV3 trigonal pyramids. In the fourth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Na(1), one V(2), one V(3), and one V(4) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one V(3), and two equivalent V(1) atoms. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1), one V(2), one V(3), and one V(4) atom. In the seventh O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), one V(5), and two equivalent V(1) atoms. In the eighth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one V(1), one V(3), and one V(5) atom. is represented by the CIF card [CIF]
data_NaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   13.107
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.369
_symmetry_Int_Tables_number   1
_cell_volume   373.599
_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  0.658  0.342  0.235  1.0
  Na  Na1  1  0.342  0.658  0.735  1.0
  V  V2  1  0.495  0.996  0.001  1.0
  V  V3  1  0.669  0.331  0.759  1.0
  V  V4  1  0.004  0.505  0.001  1.0
  V  V5  1  0.999  0.001  0.853  1.0
  V  V6  1  0.997  0.003  0.148  1.0
  V  V7  1  0.003  0.997  0.648  1.0
  V  V8  1  0.495  0.505  0.001  1.0
  V  V9  1  0.331  0.669  0.259  1.0
  V  V10  1  0.505  0.004  0.501  1.0
  V  V11  1  0.505  0.495  0.501  1.0
  V  V12  1  0.001  0.999  0.353  1.0
  V  V13  1  0.996  0.495  0.501  1.0
  O  O14  1  0.169  0.831  0.919  1.0
  O  O15  1  0.303  0.160  0.750  1.0
  O  O16  1  0.668  0.332  0.588  1.0
  O  O17  1  0.339  0.166  0.420  1.0
  O  O18  1  0.166  0.339  0.920  1.0
  O  O19  1  0.334  0.666  0.413  1.0
  O  O20  1  0.173  0.827  0.581  1.0
  O  O21  1  0.171  0.339  0.578  1.0
  O  O22  1  0.666  0.334  0.913  1.0
  O  O23  1  0.339  0.171  0.078  1.0
  O  O24  1  0.845  0.155  0.747  1.0
  O  O25  1  0.834  0.661  0.420  1.0
  O  O26  1  0.827  0.173  0.081  1.0
  O  O27  1  0.831  0.169  0.419  1.0
  O  O28  1  0.332  0.668  0.088  1.0
  O  O29  1  0.697  0.840  0.250  1.0
  O  O30  1  0.829  0.661  0.078  1.0
  O  O31  1  0.840  0.697  0.750  1.0
  O  O32  1  0.155  0.845  0.247  1.0
  O  O33  1  0.160  0.303  0.250  1.0
  O  O34  1  0.661  0.834  0.920  1.0
  O  O35  1  0.661  0.829  0.578  1.0
[/CIF]
.