The material structure described by Na3VO3 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form NaO4 trigonal pyramids that share corners with five equivalent V(1)O4 tetrahedra and  an edgeedge with one Na(2)O4 trigonal pyramid. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with five equivalent Na(2)O4 trigonal pyramids and  an edgeedge with one V(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one V(1) atom. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), two equivalent Na(3), and one V(1) atom to form distorted edge-sharing ONa5V octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Na3VO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   6.021
_cell_length_c   6.481
_cell_angle_alpha   63.837
_cell_angle_beta   89.254
_cell_angle_gamma   87.443
_symmetry_Int_Tables_number   1
_cell_volume   206.433
_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  0.065  0.761  0.449  1.0
  Na  Na1  1  0.935  0.239  0.551  1.0
  Na  Na2  1  0.138  0.777  0.984  1.0
  Na  Na3  1  0.863  0.223  0.016  1.0
  Na  Na4  1  0.429  0.268  0.747  1.0
  Na  Na5  1  0.570  0.732  0.253  1.0
  V  V6  1  0.627  0.811  0.690  1.0
  V  V7  1  0.373  0.189  0.310  1.0
  O  O8  1  0.239  0.105  0.096  1.0
  O  O9  1  0.761  0.895  0.904  1.0
  O  O10  1  0.255  0.472  0.342  1.0
  O  O11  1  0.745  0.528  0.658  1.0
  O  O12  1  0.306  0.925  0.630  1.0
  O  O13  1  0.694  0.075  0.370  1.0
[/CIF]
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The material structure described by Na3VO3 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form NaO4 trigonal pyramids that share corners with five equivalent V(1)O4 tetrahedra and  an edgeedge with one Na(2)O4 trigonal pyramid. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with five equivalent Na(2)O4 trigonal pyramids and  an edgeedge with one V(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), two equivalent Na(3), and one V(1) atom. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), two equivalent Na(3), and one V(1) atom to form distorted edge-sharing ONa5V octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_Na3VO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.900
_cell_length_b   6.021
_cell_length_c   6.481
_cell_angle_alpha   63.837
_cell_angle_beta   89.254
_cell_angle_gamma   87.443
_symmetry_Int_Tables_number   1
_cell_volume   206.433
_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  0.065  0.761  0.449  1.0
  Na  Na1  1  0.935  0.239  0.551  1.0
  Na  Na2  1  0.138  0.777  0.984  1.0
  Na  Na3  1  0.863  0.223  0.016  1.0
  Na  Na4  1  0.429  0.268  0.747  1.0
  Na  Na5  1  0.570  0.732  0.253  1.0
  V  V6  1  0.627  0.811  0.690  1.0
  V  V7  1  0.373  0.189  0.310  1.0
  O  O8  1  0.239  0.105  0.096  1.0
  O  O9  1  0.761  0.895  0.904  1.0
  O  O10  1  0.255  0.472  0.342  1.0
  O  O11  1  0.745  0.528  0.658  1.0
  O  O12  1  0.306  0.925  0.630  1.0
  O  O13  1  0.694  0.075  0.370  1.0
[/CIF]
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