The material structure described by Na2VO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fdd2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with five equivalent Na(2)O6 octahedra, and edges with five equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. is represented by the CIF card [CIF]
data_Na2VO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.250
_cell_length_b   9.763
_cell_length_c   5.524
_cell_angle_alpha   78.898
_cell_angle_beta   69.178
_cell_angle_gamma   31.924
_symmetry_Int_Tables_number   1
_cell_volume   266.468
_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  0.994  0.494  0.504  1.0
  Na  Na1  1  0.917  0.426  0.084  1.0
  Na  Na2  1  0.824  0.333  0.677  1.0
  Na  Na3  1  0.756  0.256  0.243  1.0
  Na  Na4  1  0.243  0.746  0.756  1.0
  Na  Na5  1  0.677  0.166  0.824  1.0
  Na  Na6  1  0.084  0.573  0.917  1.0
  Na  Na7  1  0.504  0.007  0.994  1.0
  V  V8  1  0.399  0.928  0.605  1.0
  V  V9  1  0.322  0.851  0.183  1.0
  V  V10  1  0.183  0.645  0.322  1.0
  V  V11  1  0.605  0.067  0.399  1.0
  O  O12  1  0.194  0.120  0.347  1.0
  O  O13  1  0.599  0.706  0.858  1.0
  O  O14  1  0.544  0.651  0.413  1.0
  O  O15  1  0.130  0.056  0.911  1.0
  O  O16  1  0.059  0.952  0.440  1.0
  O  O17  1  0.440  0.549  0.059  1.0
  O  O18  1  0.911  0.903  0.130  1.0
  O  O19  1  0.413  0.392  0.544  1.0
  O  O20  1  0.858  0.837  0.599  1.0
  O  O21  1  0.347  0.339  0.194  1.0
  O  O22  1  0.701  0.810  0.298  1.0
  O  O23  1  0.298  0.191  0.701  1.0
[/CIF]
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The material structure described by Na2VO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fdd2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with five equivalent Na(2)O6 octahedra, and edges with five equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with four equivalent V(1)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-19°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with three equivalent V(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing ONa4V2 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. is represented by the CIF card [CIF]
data_Na2VO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.250
_cell_length_b   9.763
_cell_length_c   5.524
_cell_angle_alpha   78.898
_cell_angle_beta   69.178
_cell_angle_gamma   31.924
_symmetry_Int_Tables_number   1
_cell_volume   266.468
_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  0.994  0.494  0.504  1.0
  Na  Na1  1  0.917  0.426  0.084  1.0
  Na  Na2  1  0.824  0.333  0.677  1.0
  Na  Na3  1  0.756  0.256  0.243  1.0
  Na  Na4  1  0.243  0.746  0.756  1.0
  Na  Na5  1  0.677  0.166  0.824  1.0
  Na  Na6  1  0.084  0.573  0.917  1.0
  Na  Na7  1  0.504  0.007  0.994  1.0
  V  V8  1  0.399  0.928  0.605  1.0
  V  V9  1  0.322  0.851  0.183  1.0
  V  V10  1  0.183  0.645  0.322  1.0
  V  V11  1  0.605  0.067  0.399  1.0
  O  O12  1  0.194  0.120  0.347  1.0
  O  O13  1  0.599  0.706  0.858  1.0
  O  O14  1  0.544  0.651  0.413  1.0
  O  O15  1  0.130  0.056  0.911  1.0
  O  O16  1  0.059  0.952  0.440  1.0
  O  O17  1  0.440  0.549  0.059  1.0
  O  O18  1  0.911  0.903  0.130  1.0
  O  O19  1  0.413  0.392  0.544  1.0
  O  O20  1  0.858  0.837  0.599  1.0
  O  O21  1  0.347  0.339  0.194  1.0
  O  O22  1  0.701  0.810  0.298  1.0
  O  O23  1  0.298  0.191  0.701  1.0
[/CIF]
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