The material described by NaVO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form corner-sharing VO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.824
_cell_length_b   7.824
_cell_length_c   6.238
_cell_angle_alpha   66.341
_cell_angle_beta   113.659
_cell_angle_gamma   106.916
_symmetry_Int_Tables_number   1
_cell_volume   316.507
_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  0.698  0.718  0.742  1.0
  Na  Na1  1  0.282  0.299  0.742  1.0
  Na  Na2  1  0.282  0.302  0.242  1.0
  Na  Na3  1  0.701  0.718  0.242  1.0
  V  V4  1  0.127  0.703  0.714  1.0
  V  V5  1  0.297  0.873  0.214  1.0
  V  V6  1  0.685  0.146  0.772  1.0
  V  V7  1  0.854  0.315  0.272  1.0
  O  O8  1  0.164  0.842  0.910  1.0
  O  O9  1  0.158  0.836  0.410  1.0
  O  O10  1  0.590  0.917  0.835  1.0
  O  O11  1  0.257  0.527  0.866  1.0
  O  O12  1  0.083  0.410  0.335  1.0
  O  O13  1  0.473  0.743  0.366  1.0
  O  O14  1  0.511  0.278  0.618  1.0
  O  O15  1  0.897  0.610  0.650  1.0
  O  O16  1  0.722  0.489  0.118  1.0
  O  O17  1  0.390  0.103  0.150  1.0
  O  O18  1  0.825  0.183  0.576  1.0
  O  O19  1  0.817  0.175  0.076  1.0
[/CIF]
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The material described by NaVO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded in a see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(4), and two equivalent O(6) atoms to form corner-sharing VO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.824
_cell_length_b   7.824
_cell_length_c   6.238
_cell_angle_alpha   66.341
_cell_angle_beta   113.659
_cell_angle_gamma   106.916
_symmetry_Int_Tables_number   1
_cell_volume   316.507
_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  0.698  0.718  0.742  1.0
  Na  Na1  1  0.282  0.299  0.742  1.0
  Na  Na2  1  0.282  0.302  0.242  1.0
  Na  Na3  1  0.701  0.718  0.242  1.0
  V  V4  1  0.127  0.703  0.714  1.0
  V  V5  1  0.297  0.873  0.214  1.0
  V  V6  1  0.685  0.146  0.772  1.0
  V  V7  1  0.854  0.315  0.272  1.0
  O  O8  1  0.164  0.842  0.910  1.0
  O  O9  1  0.158  0.836  0.410  1.0
  O  O10  1  0.590  0.917  0.835  1.0
  O  O11  1  0.257  0.527  0.866  1.0
  O  O12  1  0.083  0.410  0.335  1.0
  O  O13  1  0.473  0.743  0.366  1.0
  O  O14  1  0.511  0.278  0.618  1.0
  O  O15  1  0.897  0.610  0.650  1.0
  O  O16  1  0.722  0.489  0.118  1.0
  O  O17  1  0.390  0.103  0.150  1.0
  O  O18  1  0.825  0.183  0.576  1.0
  O  O19  1  0.817  0.175  0.076  1.0
[/CIF]
.