The material described by Na5VO5 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted NaO4 trigonal pyramids that share corners with two equivalent Na(3)O5 square pyramids, corners with two equivalent V(1)O5 trigonal bipyramids, corners with four equivalent Na(2)O5 trigonal bipyramids,  a cornercorner with one Na(1)O4 trigonal pyramid,  an edgeedge with one Na(3)O5 square pyramid,  an edgeedge with one V(1)O5 trigonal bipyramid, edges with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O4 trigonal pyramid. In the second Na site, Na(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share  a cornercorner with one Na(3)O5 square pyramid,  a cornercorner with one Na(2)O5 trigonal bipyramid, corners with three equivalent V(1)O5 trigonal bipyramids, corners with four equivalent Na(1)O4 trigonal pyramids, edges with two equivalent Na(3)O5 square pyramids,  an edgeedge with one V(1)O5 trigonal bipyramid, edges with two equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(1)O4 trigonal pyramids. In the third Na site, Na(3) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaO5 square pyramids that share  a cornercorner with one V(1)O5 trigonal bipyramid, corners with two equivalent Na(2)O5 trigonal bipyramids, corners with four equivalent Na(1)O4 trigonal pyramids, edges with two equivalent V(1)O5 trigonal bipyramids, edges with four equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(1)O4 trigonal pyramids. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share  a cornercorner with one Na(3)O5 square pyramid, corners with six equivalent Na(2)O5 trigonal bipyramids, corners with four equivalent Na(1)O4 trigonal pyramids, edges with two equivalent Na(3)O5 square pyramids, edges with two equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), two equivalent Na(2), and one V(1) atom to form distorted ONa4V square pyramids that share corners with two equivalent O(2)Na5V octahedra, corners with two equivalent O(1)Na4V square pyramids, edges with four equivalent O(2)Na5V octahedra, and  an edgeedge with one O(1)Na4V square pyramid. The corner-sharing octahedral tilt angles range from 33-69°. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one V(1) atom to form distorted ONa5V octahedra that share corners with two equivalent O(2)Na5V octahedra, corners with two equivalent O(1)Na4V square pyramids, edges with two equivalent O(2)Na5V octahedra, and edges with four equivalent O(1)Na4V square pyramids. The corner-sharing octahedral tilt angles range from 8-31°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Na5VO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.926
_cell_length_b   5.926
_cell_length_c   9.971
_cell_angle_alpha   81.084
_cell_angle_beta   81.084
_cell_angle_gamma   116.551
_symmetry_Int_Tables_number   1
_cell_volume   299.338
_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  0.674  0.983  0.580  1.0
  Na  Na1  1  0.559  0.785  0.948  1.0
  Na  Na2  1  0.666  0.334  0.750  1.0
  Na  Na3  1  0.983  0.674  0.080  1.0
  Na  Na4  1  0.785  0.559  0.448  1.0
  Na  Na5  1  0.215  0.441  0.552  1.0
  Na  Na6  1  0.017  0.326  0.920  1.0
  Na  Na7  1  0.334  0.666  0.250  1.0
  Na  Na8  1  0.441  0.215  0.052  1.0
  Na  Na9  1  0.326  0.017  0.420  1.0
  V  V10  1  0.093  0.907  0.750  1.0
  V  V11  1  0.907  0.093  0.250  1.0
  O  O12  1  0.294  0.955  0.876  1.0
  O  O13  1  0.398  0.185  0.609  1.0
  O  O14  1  0.955  0.294  0.376  1.0
  O  O15  1  0.185  0.398  0.109  1.0
  O  O16  1  0.915  0.085  0.750  1.0
  O  O17  1  0.085  0.915  0.250  1.0
  O  O18  1  0.815  0.602  0.891  1.0
  O  O19  1  0.045  0.706  0.624  1.0
  O  O20  1  0.602  0.815  0.391  1.0
  O  O21  1  0.706  0.045  0.124  1.0
[/CIF]
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The material described by Na5VO5 crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted NaO4 trigonal pyramids that share corners with two equivalent Na(3)O5 square pyramids, corners with two equivalent V(1)O5 trigonal bipyramids, corners with four equivalent Na(2)O5 trigonal bipyramids,  a cornercorner with one Na(1)O4 trigonal pyramid,  an edgeedge with one Na(3)O5 square pyramid,  an edgeedge with one V(1)O5 trigonal bipyramid, edges with two equivalent Na(2)O5 trigonal bipyramids, and  an edgeedge with one Na(1)O4 trigonal pyramid. In the second Na site, Na(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaO5 trigonal bipyramids that share  a cornercorner with one Na(3)O5 square pyramid,  a cornercorner with one Na(2)O5 trigonal bipyramid, corners with three equivalent V(1)O5 trigonal bipyramids, corners with four equivalent Na(1)O4 trigonal pyramids, edges with two equivalent Na(3)O5 square pyramids,  an edgeedge with one V(1)O5 trigonal bipyramid, edges with two equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(1)O4 trigonal pyramids. In the third Na site, Na(3) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaO5 square pyramids that share  a cornercorner with one V(1)O5 trigonal bipyramid, corners with two equivalent Na(2)O5 trigonal bipyramids, corners with four equivalent Na(1)O4 trigonal pyramids, edges with two equivalent V(1)O5 trigonal bipyramids, edges with four equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(1)O4 trigonal pyramids. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share  a cornercorner with one Na(3)O5 square pyramid, corners with six equivalent Na(2)O5 trigonal bipyramids, corners with four equivalent Na(1)O4 trigonal pyramids, edges with two equivalent Na(3)O5 square pyramids, edges with two equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), two equivalent Na(2), and one V(1) atom to form distorted ONa4V square pyramids that share corners with two equivalent O(2)Na5V octahedra, corners with two equivalent O(1)Na4V square pyramids, edges with four equivalent O(2)Na5V octahedra, and  an edgeedge with one O(1)Na4V square pyramid. The corner-sharing octahedral tilt angles range from 33-69°. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one V(1) atom to form distorted ONa5V octahedra that share corners with two equivalent O(2)Na5V octahedra, corners with two equivalent O(1)Na4V square pyramids, edges with two equivalent O(2)Na5V octahedra, and edges with four equivalent O(1)Na4V square pyramids. The corner-sharing octahedral tilt angles range from 8-31°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Na5VO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.926
_cell_length_b   5.926
_cell_length_c   9.971
_cell_angle_alpha   81.084
_cell_angle_beta   81.084
_cell_angle_gamma   116.551
_symmetry_Int_Tables_number   1
_cell_volume   299.338
_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  0.674  0.983  0.580  1.0
  Na  Na1  1  0.559  0.785  0.948  1.0
  Na  Na2  1  0.666  0.334  0.750  1.0
  Na  Na3  1  0.983  0.674  0.080  1.0
  Na  Na4  1  0.785  0.559  0.448  1.0
  Na  Na5  1  0.215  0.441  0.552  1.0
  Na  Na6  1  0.017  0.326  0.920  1.0
  Na  Na7  1  0.334  0.666  0.250  1.0
  Na  Na8  1  0.441  0.215  0.052  1.0
  Na  Na9  1  0.326  0.017  0.420  1.0
  V  V10  1  0.093  0.907  0.750  1.0
  V  V11  1  0.907  0.093  0.250  1.0
  O  O12  1  0.294  0.955  0.876  1.0
  O  O13  1  0.398  0.185  0.609  1.0
  O  O14  1  0.955  0.294  0.376  1.0
  O  O15  1  0.185  0.398  0.109  1.0
  O  O16  1  0.915  0.085  0.750  1.0
  O  O17  1  0.085  0.915  0.250  1.0
  O  O18  1  0.815  0.602  0.891  1.0
  O  O19  1  0.045  0.706  0.624  1.0
  O  O20  1  0.602  0.815  0.391  1.0
  O  O21  1  0.706  0.045  0.124  1.0
[/CIF]
.