The material structure described by Na4VHO5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one H(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaHO6 pentagonal bipyramids that share corners with two equivalent Na(2)HO6 pentagonal bipyramids, corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Na(3)H2O6 hexagonal bipyramids, and faces with two equivalent Na(3)H2O6 hexagonal bipyramids. In the third Na site, Na(3) is bonded to two equivalent H(1), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted NaH2O6 hexagonal bipyramids that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Na(2)HO6 pentagonal bipyramids, faces with two equivalent Na(3)H2O6 hexagonal bipyramids, and faces with two equivalent Na(2)HO6 pentagonal bipyramids. V(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Na(3)H2O6 hexagonal bipyramids and corners with four equivalent Na(2)HO6 pentagonal bipyramids. H(1) is bonded in a single-bond geometry to one Na(2), two equivalent Na(3), and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one H(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Na(1), two equivalent Na(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4VHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.544
_cell_length_b   8.408
_cell_length_c   9.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.449
_cell_formula_units_Z   4
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  0.513  0.346  0.629  1.0
  Na  Na1  1  0.987  0.346  0.629  1.0
  Na  Na2  1  0.513  0.154  0.129  1.0
  Na  Na3  1  0.750  0.241  0.873  1.0
  Na  Na4  1  0.987  0.154  0.129  1.0
  Na  Na5  1  0.013  0.654  0.371  1.0
  Na  Na6  1  0.487  0.654  0.371  1.0
  Na  Na7  1  0.250  0.759  0.127  1.0
  Na  Na8  1  0.000  0.000  0.500  1.0
  Na  Na9  1  0.487  0.846  0.871  1.0
  Na  Na10  1  0.750  0.259  0.373  1.0
  Na  Na11  1  0.013  0.846  0.871  1.0
  Na  Na12  1  0.500  0.500  0.000  1.0
  Na  Na13  1  0.250  0.741  0.627  1.0
  Na  Na14  1  0.500  0.000  0.500  1.0
  Na  Na15  1  0.000  0.500  0.000  1.0
  V  V16  1  0.250  0.350  0.363  1.0
  V  V17  1  0.250  0.150  0.863  1.0
  V  V18  1  0.750  0.850  0.137  1.0
  V  V19  1  0.750  0.650  0.637  1.0
  H  H20  1  0.750  0.053  0.666  1.0
  H  H21  1  0.750  0.447  0.166  1.0
  H  H22  1  0.250  0.553  0.834  1.0
  H  H23  1  0.250  0.947  0.334  1.0
  O  O24  1  0.560  0.732  0.129  1.0
  O  O25  1  0.750  0.344  0.118  1.0
  O  O26  1  0.750  0.978  0.985  1.0
  O  O27  1  0.940  0.768  0.629  1.0
  O  O28  1  0.750  0.522  0.485  1.0
  O  O29  1  0.560  0.768  0.629  1.0
  O  O30  1  0.250  0.656  0.882  1.0
  O  O31  1  0.250  0.033  0.706  1.0
  O  O32  1  0.060  0.232  0.371  1.0
  O  O33  1  0.250  0.844  0.382  1.0
  O  O34  1  0.440  0.268  0.871  1.0
  O  O35  1  0.750  0.156  0.618  1.0
  O  O36  1  0.250  0.022  0.015  1.0
  O  O37  1  0.940  0.732  0.129  1.0
  O  O38  1  0.250  0.478  0.515  1.0
  O  O39  1  0.750  0.533  0.794  1.0
  O  O40  1  0.060  0.268  0.871  1.0
  O  O41  1  0.750  0.967  0.294  1.0
  O  O42  1  0.440  0.232  0.371  1.0
  O  O43  1  0.250  0.467  0.206  1.0
[/CIF]
.
The material structure described by Na4VHO5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one H(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted NaHO6 pentagonal bipyramids that share corners with two equivalent Na(2)HO6 pentagonal bipyramids, corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Na(3)H2O6 hexagonal bipyramids, and faces with two equivalent Na(3)H2O6 hexagonal bipyramids. In the third Na site, Na(3) is bonded to two equivalent H(1), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted NaH2O6 hexagonal bipyramids that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Na(2)HO6 pentagonal bipyramids, faces with two equivalent Na(3)H2O6 hexagonal bipyramids, and faces with two equivalent Na(2)HO6 pentagonal bipyramids. V(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Na(3)H2O6 hexagonal bipyramids and corners with four equivalent Na(2)HO6 pentagonal bipyramids. H(1) is bonded in a single-bond geometry to one Na(2), two equivalent Na(3), and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one H(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Na(1), two equivalent Na(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4VHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.544
_cell_length_b   8.408
_cell_length_c   9.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.449
_cell_formula_units_Z   4
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  0.513  0.346  0.629  1.0
  Na  Na1  1  0.987  0.346  0.629  1.0
  Na  Na2  1  0.513  0.154  0.129  1.0
  Na  Na3  1  0.750  0.241  0.873  1.0
  Na  Na4  1  0.987  0.154  0.129  1.0
  Na  Na5  1  0.013  0.654  0.371  1.0
  Na  Na6  1  0.487  0.654  0.371  1.0
  Na  Na7  1  0.250  0.759  0.127  1.0
  Na  Na8  1  0.000  0.000  0.500  1.0
  Na  Na9  1  0.487  0.846  0.871  1.0
  Na  Na10  1  0.750  0.259  0.373  1.0
  Na  Na11  1  0.013  0.846  0.871  1.0
  Na  Na12  1  0.500  0.500  0.000  1.0
  Na  Na13  1  0.250  0.741  0.627  1.0
  Na  Na14  1  0.500  0.000  0.500  1.0
  Na  Na15  1  0.000  0.500  0.000  1.0
  V  V16  1  0.250  0.350  0.363  1.0
  V  V17  1  0.250  0.150  0.863  1.0
  V  V18  1  0.750  0.850  0.137  1.0
  V  V19  1  0.750  0.650  0.637  1.0
  H  H20  1  0.750  0.053  0.666  1.0
  H  H21  1  0.750  0.447  0.166  1.0
  H  H22  1  0.250  0.553  0.834  1.0
  H  H23  1  0.250  0.947  0.334  1.0
  O  O24  1  0.560  0.732  0.129  1.0
  O  O25  1  0.750  0.344  0.118  1.0
  O  O26  1  0.750  0.978  0.985  1.0
  O  O27  1  0.940  0.768  0.629  1.0
  O  O28  1  0.750  0.522  0.485  1.0
  O  O29  1  0.560  0.768  0.629  1.0
  O  O30  1  0.250  0.656  0.882  1.0
  O  O31  1  0.250  0.033  0.706  1.0
  O  O32  1  0.060  0.232  0.371  1.0
  O  O33  1  0.250  0.844  0.382  1.0
  O  O34  1  0.440  0.268  0.871  1.0
  O  O35  1  0.750  0.156  0.618  1.0
  O  O36  1  0.250  0.022  0.015  1.0
  O  O37  1  0.940  0.732  0.129  1.0
  O  O38  1  0.250  0.478  0.515  1.0
  O  O39  1  0.750  0.533  0.794  1.0
  O  O40  1  0.060  0.268  0.871  1.0
  O  O41  1  0.750  0.967  0.294  1.0
  O  O42  1  0.440  0.232  0.371  1.0
  O  O43  1  0.250  0.467  0.206  1.0
[/CIF]
.