The structure described by NaV3O8 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NaO6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(8), and three equivalent O(1) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(7) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(3) and three equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(3) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. is represented by the CIF card [CIF]
data_NaV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.568
_cell_length_b   7.217
_cell_length_c   12.085
_cell_angle_alpha   72.810
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.336
_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  0.750  0.177  0.322  1.0
  Na  Na1  1  0.250  0.823  0.678  1.0
  V  V2  1  0.250  0.115  0.080  1.0
  V  V3  1  0.250  0.315  0.543  1.0
  V  V4  1  0.250  0.266  0.810  1.0
  V  V5  1  0.750  0.734  0.190  1.0
  V  V6  1  0.750  0.685  0.457  1.0
  V  V7  1  0.750  0.885  0.920  1.0
  O  O8  1  0.750  0.043  0.071  1.0
  O  O9  1  0.250  0.212  0.185  1.0
  O  O10  1  0.250  0.189  0.452  1.0
  O  O11  1  0.250  0.148  0.679  1.0
  O  O12  1  0.750  0.182  0.827  1.0
  O  O13  1  0.750  0.515  0.276  1.0
  O  O14  1  0.750  0.400  0.542  1.0
  O  O15  1  0.750  0.690  0.048  1.0
  O  O16  1  0.250  0.310  0.952  1.0
  O  O17  1  0.250  0.600  0.458  1.0
  O  O18  1  0.250  0.485  0.724  1.0
  O  O19  1  0.250  0.818  0.173  1.0
  O  O20  1  0.750  0.852  0.321  1.0
  O  O21  1  0.750  0.811  0.548  1.0
  O  O22  1  0.750  0.788  0.815  1.0
  O  O23  1  0.250  0.957  0.929  1.0
[/CIF]
.
The structure described by NaV3O8 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing NaO6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(8), and three equivalent O(1) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), and three equivalent O(7) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(3) and three equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(3) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. is represented by the CIF card [CIF]
data_NaV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.568
_cell_length_b   7.217
_cell_length_c   12.085
_cell_angle_alpha   72.810
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.336
_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  0.750  0.177  0.322  1.0
  Na  Na1  1  0.250  0.823  0.678  1.0
  V  V2  1  0.250  0.115  0.080  1.0
  V  V3  1  0.250  0.315  0.543  1.0
  V  V4  1  0.250  0.266  0.810  1.0
  V  V5  1  0.750  0.734  0.190  1.0
  V  V6  1  0.750  0.685  0.457  1.0
  V  V7  1  0.750  0.885  0.920  1.0
  O  O8  1  0.750  0.043  0.071  1.0
  O  O9  1  0.250  0.212  0.185  1.0
  O  O10  1  0.250  0.189  0.452  1.0
  O  O11  1  0.250  0.148  0.679  1.0
  O  O12  1  0.750  0.182  0.827  1.0
  O  O13  1  0.750  0.515  0.276  1.0
  O  O14  1  0.750  0.400  0.542  1.0
  O  O15  1  0.750  0.690  0.048  1.0
  O  O16  1  0.250  0.310  0.952  1.0
  O  O17  1  0.250  0.600  0.458  1.0
  O  O18  1  0.250  0.485  0.724  1.0
  O  O19  1  0.250  0.818  0.173  1.0
  O  O20  1  0.750  0.852  0.321  1.0
  O  O21  1  0.750  0.811  0.548  1.0
  O  O22  1  0.750  0.788  0.815  1.0
  O  O23  1  0.250  0.957  0.929  1.0
[/CIF]
.