The material described by NaV4O10 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_NaV4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.171
_cell_length_b   6.171
_cell_length_c   9.573
_cell_angle_alpha   79.407
_cell_angle_beta   79.407
_cell_angle_gamma   34.694
_symmetry_Int_Tables_number   1
_cell_volume   203.641
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  V  V1  1  0.911  0.911  0.162  1.0
  V  V2  1  0.797  0.797  0.832  1.0
  V  V3  1  0.203  0.203  0.168  1.0
  V  V4  1  0.089  0.089  0.838  1.0
  O  O5  1  0.935  0.935  0.904  1.0
  O  O6  1  0.906  0.906  0.334  1.0
  O  O7  1  0.850  0.850  0.662  1.0
  O  O8  1  0.376  0.376  0.138  1.0
  O  O9  1  0.258  0.258  0.877  1.0
  O  O10  1  0.742  0.742  0.123  1.0
  O  O11  1  0.624  0.624  0.862  1.0
  O  O12  1  0.150  0.150  0.338  1.0
  O  O13  1  0.094  0.094  0.666  1.0
  O  O14  1  0.065  0.065  0.096  1.0
[/CIF]
.
The material described by NaV4O10 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. is represented by the CIF card [CIF]
data_NaV4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.171
_cell_length_b   6.171
_cell_length_c   9.573
_cell_angle_alpha   79.407
_cell_angle_beta   79.407
_cell_angle_gamma   34.694
_symmetry_Int_Tables_number   1
_cell_volume   203.641
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  V  V1  1  0.911  0.911  0.162  1.0
  V  V2  1  0.797  0.797  0.832  1.0
  V  V3  1  0.203  0.203  0.168  1.0
  V  V4  1  0.089  0.089  0.838  1.0
  O  O5  1  0.935  0.935  0.904  1.0
  O  O6  1  0.906  0.906  0.334  1.0
  O  O7  1  0.850  0.850  0.662  1.0
  O  O8  1  0.376  0.376  0.138  1.0
  O  O9  1  0.258  0.258  0.877  1.0
  O  O10  1  0.742  0.742  0.123  1.0
  O  O11  1  0.624  0.624  0.862  1.0
  O  O12  1  0.150  0.150  0.338  1.0
  O  O13  1  0.094  0.094  0.666  1.0
  O  O14  1  0.065  0.065  0.096  1.0
[/CIF]
.