The material structure described by NaV10O15 is Ilmenite-like structured and crystallizes in the orthorhombic Cmce space group. Na(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second V site, V(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 13-51°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one V(1), and two equivalent V(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent V(2) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded to one V(1), one V(3), and two equivalent V(2) atoms to form OV4 trigonal pyramids that share  a cornercorner with one O(4)V4 trigonal pyramid,  an edgeedge with one O(6)V6 octahedra, and  an edgeedge with one O(4)V4 trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent V(2) and two equivalent V(3) atoms. In the sixth O site, O(6) is bonded to two equivalent V(1) and four equivalent V(3) atoms to form edge-sharing OV6 octahedra. is represented by the CIF card [CIF]
data_NaV10O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.862
_cell_length_b   7.862
_cell_length_c   9.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.510
_symmetry_Int_Tables_number   1
_cell_volume   596.079
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.184  0.184  0.632  1.0
  V  V3  1  0.316  0.316  0.132  1.0
  V  V4  1  0.079  0.599  0.115  1.0
  V  V5  1  0.099  0.579  0.385  1.0
  V  V6  1  0.579  0.099  0.385  1.0
  V  V7  1  0.599  0.079  0.115  1.0
  V  V8  1  0.289  0.541  0.855  1.0
  V  V9  1  0.041  0.789  0.645  1.0
  V  V10  1  0.789  0.041  0.645  1.0
  V  V11  1  0.541  0.289  0.855  1.0
  V  V12  1  0.711  0.459  0.145  1.0
  V  V13  1  0.211  0.959  0.355  1.0
  V  V14  1  0.959  0.211  0.355  1.0
  V  V15  1  0.459  0.711  0.145  1.0
  V  V16  1  0.401  0.921  0.885  1.0
  V  V17  1  0.921  0.401  0.885  1.0
  V  V18  1  0.901  0.421  0.615  1.0
  V  V19  1  0.421  0.901  0.615  1.0
  V  V20  1  0.684  0.684  0.868  1.0
  V  V21  1  0.816  0.816  0.368  1.0
  O  O22  1  0.155  0.155  0.244  1.0
  O  O23  1  0.138  0.394  0.995  1.0
  O  O24  1  0.394  0.138  0.995  1.0
  O  O25  1  0.106  0.362  0.495  1.0
  O  O26  1  0.362  0.106  0.495  1.0
  O  O27  1  0.569  0.069  0.750  1.0
  O  O28  1  0.069  0.569  0.750  1.0
  O  O29  1  0.345  0.345  0.744  1.0
  O  O30  1  0.038  0.782  0.264  1.0
  O  O31  1  0.282  0.538  0.236  1.0
  O  O32  1  0.538  0.282  0.236  1.0
  O  O33  1  0.782  0.038  0.264  1.0
  O  O34  1  0.260  0.740  0.000  1.0
  O  O35  1  0.740  0.260  0.000  1.0
  O  O36  1  0.000  0.000  0.500  1.0
  O  O37  1  0.500  0.500  0.000  1.0
  O  O38  1  0.760  0.240  0.500  1.0
  O  O39  1  0.240  0.760  0.500  1.0
  O  O40  1  0.962  0.218  0.736  1.0
  O  O41  1  0.718  0.462  0.764  1.0
  O  O42  1  0.462  0.718  0.764  1.0
  O  O43  1  0.218  0.962  0.736  1.0
  O  O44  1  0.655  0.655  0.256  1.0
  O  O45  1  0.431  0.931  0.250  1.0
  O  O46  1  0.931  0.431  0.250  1.0
  O  O47  1  0.894  0.638  0.505  1.0
  O  O48  1  0.638  0.894  0.505  1.0
  O  O49  1  0.862  0.606  0.005  1.0
  O  O50  1  0.606  0.862  0.005  1.0
  O  O51  1  0.845  0.845  0.756  1.0
[/CIF]
.
The material structure described by NaV10O15 is Ilmenite-like structured and crystallizes in the orthorhombic Cmce space group. Na(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second V site, V(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge, face, and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 13-51°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one V(1), and two equivalent V(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent V(2) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded to one V(1), one V(3), and two equivalent V(2) atoms to form OV4 trigonal pyramids that share  a cornercorner with one O(4)V4 trigonal pyramid,  an edgeedge with one O(6)V6 octahedra, and  an edgeedge with one O(4)V4 trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent V(2) and two equivalent V(3) atoms. In the sixth O site, O(6) is bonded to two equivalent V(1) and four equivalent V(3) atoms to form edge-sharing OV6 octahedra. is represented by the CIF card [CIF]
data_NaV10O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.862
_cell_length_b   7.862
_cell_length_c   9.726
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.510
_symmetry_Int_Tables_number   1
_cell_volume   596.079
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.184  0.184  0.632  1.0
  V  V3  1  0.316  0.316  0.132  1.0
  V  V4  1  0.079  0.599  0.115  1.0
  V  V5  1  0.099  0.579  0.385  1.0
  V  V6  1  0.579  0.099  0.385  1.0
  V  V7  1  0.599  0.079  0.115  1.0
  V  V8  1  0.289  0.541  0.855  1.0
  V  V9  1  0.041  0.789  0.645  1.0
  V  V10  1  0.789  0.041  0.645  1.0
  V  V11  1  0.541  0.289  0.855  1.0
  V  V12  1  0.711  0.459  0.145  1.0
  V  V13  1  0.211  0.959  0.355  1.0
  V  V14  1  0.959  0.211  0.355  1.0
  V  V15  1  0.459  0.711  0.145  1.0
  V  V16  1  0.401  0.921  0.885  1.0
  V  V17  1  0.921  0.401  0.885  1.0
  V  V18  1  0.901  0.421  0.615  1.0
  V  V19  1  0.421  0.901  0.615  1.0
  V  V20  1  0.684  0.684  0.868  1.0
  V  V21  1  0.816  0.816  0.368  1.0
  O  O22  1  0.155  0.155  0.244  1.0
  O  O23  1  0.138  0.394  0.995  1.0
  O  O24  1  0.394  0.138  0.995  1.0
  O  O25  1  0.106  0.362  0.495  1.0
  O  O26  1  0.362  0.106  0.495  1.0
  O  O27  1  0.569  0.069  0.750  1.0
  O  O28  1  0.069  0.569  0.750  1.0
  O  O29  1  0.345  0.345  0.744  1.0
  O  O30  1  0.038  0.782  0.264  1.0
  O  O31  1  0.282  0.538  0.236  1.0
  O  O32  1  0.538  0.282  0.236  1.0
  O  O33  1  0.782  0.038  0.264  1.0
  O  O34  1  0.260  0.740  0.000  1.0
  O  O35  1  0.740  0.260  0.000  1.0
  O  O36  1  0.000  0.000  0.500  1.0
  O  O37  1  0.500  0.500  0.000  1.0
  O  O38  1  0.760  0.240  0.500  1.0
  O  O39  1  0.240  0.760  0.500  1.0
  O  O40  1  0.962  0.218  0.736  1.0
  O  O41  1  0.718  0.462  0.764  1.0
  O  O42  1  0.462  0.718  0.764  1.0
  O  O43  1  0.218  0.962  0.736  1.0
  O  O44  1  0.655  0.655  0.256  1.0
  O  O45  1  0.431  0.931  0.250  1.0
  O  O46  1  0.931  0.431  0.250  1.0
  O  O47  1  0.894  0.638  0.505  1.0
  O  O48  1  0.638  0.894  0.505  1.0
  O  O49  1  0.862  0.606  0.005  1.0
  O  O50  1  0.606  0.862  0.005  1.0
  O  O51  1  0.845  0.845  0.756  1.0
[/CIF]
.