The structure described by NaV6O13 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(13), one O(9), two equivalent O(11), two equivalent O(5), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(14), one O(18), two equivalent O(16), two equivalent O(19), and two equivalent O(22) atoms. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(2), one O(20), one O(7), and two equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(21), one O(3), one O(5), and two equivalent O(2) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(24), one O(3), one O(6), one O(8), and two equivalent O(4) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(25), one O(4), one O(7), and two equivalent O(6) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(18), and two equivalent O(9) atoms. In the sixth V site, V(6) is bonded to one O(11), one O(14), one O(17), one O(8), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the seventh V site, V(7) is bonded to one O(10), one O(13), one O(16), one O(19), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the eighth V site, V(8) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(9), and two equivalent O(18) atoms. In the ninth V site, V(9) is bonded in a 6-coordinate geometry to one O(17), one O(2), one O(20), one O(23), and two equivalent O(21) atoms. In the tenth V site, V(10) is bonded in a 6-coordinate geometry to one O(19), one O(21), one O(24), one O(3), and two equivalent O(23) atoms. In the eleventh V site, V(11) is bonded in a 6-coordinate geometry to one O(22), one O(24), one O(26), one O(6), and two equivalent O(25) atoms. In the twelfth V site, V(12) is bonded to one O(15), one O(20), one O(25), one O(7), and two equivalent O(26) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to one V(1), one V(9), and two equivalent V(2) atoms to form distorted corner-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(10), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to two equivalent Na(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(11), one V(3), and two equivalent V(4) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(12), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one V(3), and one V(6) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one V(8), and two equivalent V(5) atoms. In the tenth O site, O(10) is bonded in a linear geometry to one V(4) and one V(7) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(1) and one V(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(1), one V(7), and two equivalent V(6) atoms. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one V(6), and two equivalent V(7) atoms. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(12) and one V(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one V(7), and one V(8) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to one V(6) and one V(9) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(2), one V(5), and two equivalent V(8) atoms. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one V(10), and one V(7) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one V(1), one V(12), and one V(9) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one V(10), one V(2), and two equivalent V(9) atoms. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to two equivalent Na(2) and one V(11) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one V(9) and two equivalent V(10) atoms. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one V(10), one V(11), and one V(3) atom. In the twenty-fifth O site, O(25) is bonded to one V(12), one V(4), and two equivalent V(11) atoms to form distorted corner-sharing OV4 trigonal pyramids. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one V(11) and two equivalent V(12) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.729
_cell_length_b   11.323
_cell_length_c   11.910
_cell_angle_alpha   69.040
_cell_angle_beta   89.989
_cell_angle_gamma   80.519
_symmetry_Int_Tables_number   1
_cell_volume   462.240
_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  0.173  0.652  0.719  1.0
  Na  Na1  1  0.822  0.349  0.282  1.0
  V  V2  1  0.055  0.892  0.966  1.0
  V  V3  1  0.562  0.875  0.772  1.0
  V  V4  1  0.575  0.855  0.484  1.0
  V  V5  1  0.075  0.856  0.284  1.0
  V  V6  1  0.773  0.452  0.921  1.0
  V  V7  1  0.751  0.491  0.606  1.0
  V  V8  1  0.241  0.509  0.393  1.0
  V  V9  1  0.222  0.548  0.077  1.0
  V  V10  1  0.928  0.144  0.716  1.0
  V  V11  1  0.429  0.144  0.516  1.0
  V  V12  1  0.440  0.124  0.228  1.0
  V  V13  1  0.949  0.109  0.034  1.0
  O  O14  1  0.554  0.894  0.933  1.0
  O  O15  1  0.042  0.916  0.784  1.0
  O  O16  1  0.546  0.915  0.607  1.0
  O  O17  1  0.066  0.875  0.443  1.0
  O  O18  1  0.642  0.717  0.814  1.0
  O  O19  1  0.557  0.894  0.303  1.0
  O  O20  1  0.046  0.911  0.113  1.0
  O  O21  1  0.656  0.693  0.555  1.0
  O  O22  1  0.250  0.494  0.934  1.0
  O  O23  1  0.154  0.694  0.329  1.0
  O  O24  1  0.751  0.492  0.760  1.0
  O  O25  1  0.143  0.710  0.025  1.0
  O  O26  1  0.247  0.499  0.570  1.0
  O  O27  1  0.747  0.501  0.429  1.0
  O  O28  1  0.855  0.290  0.974  1.0
  O  O29  1  0.241  0.509  0.238  1.0
  O  O30  1  0.845  0.306  0.671  1.0
  O  O31  1  0.743  0.505  0.065  1.0
  O  O32  1  0.348  0.307  0.444  1.0
  O  O33  1  0.955  0.089  0.888  1.0
  O  O34  1  0.447  0.107  0.697  1.0
  O  O35  1  0.358  0.282  0.187  1.0
  O  O36  1  0.940  0.124  0.557  1.0
  O  O37  1  0.462  0.083  0.394  1.0
  O  O38  1  0.960  0.083  0.216  1.0
  O  O39  1  0.450  0.106  0.068  1.0
[/CIF]
.
The structure described by NaV6O13 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(13), one O(9), two equivalent O(11), two equivalent O(5), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(14), one O(18), two equivalent O(16), two equivalent O(19), and two equivalent O(22) atoms. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(2), one O(20), one O(7), and two equivalent O(1) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(21), one O(3), one O(5), and two equivalent O(2) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(24), one O(3), one O(6), one O(8), and two equivalent O(4) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(25), one O(4), one O(7), and two equivalent O(6) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(11), one O(15), one O(18), and two equivalent O(9) atoms. In the sixth V site, V(6) is bonded to one O(11), one O(14), one O(17), one O(8), and two equivalent O(13) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the seventh V site, V(7) is bonded to one O(10), one O(13), one O(16), one O(19), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. In the eighth V site, V(8) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(9), and two equivalent O(18) atoms. In the ninth V site, V(9) is bonded in a 6-coordinate geometry to one O(17), one O(2), one O(20), one O(23), and two equivalent O(21) atoms. In the tenth V site, V(10) is bonded in a 6-coordinate geometry to one O(19), one O(21), one O(24), one O(3), and two equivalent O(23) atoms. In the eleventh V site, V(11) is bonded in a 6-coordinate geometry to one O(22), one O(24), one O(26), one O(6), and two equivalent O(25) atoms. In the twelfth V site, V(12) is bonded to one O(15), one O(20), one O(25), one O(7), and two equivalent O(26) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to one V(1), one V(9), and two equivalent V(2) atoms to form distorted corner-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(10), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to two equivalent Na(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(11), one V(3), and two equivalent V(4) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(12), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one V(3), and one V(6) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one V(8), and two equivalent V(5) atoms. In the tenth O site, O(10) is bonded in a linear geometry to one V(4) and one V(7) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(1) and one V(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(1), one V(7), and two equivalent V(6) atoms. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Na(2), one V(6), and two equivalent V(7) atoms. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(12) and one V(5) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one V(7), and one V(8) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to one V(6) and one V(9) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(2), one V(5), and two equivalent V(8) atoms. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one V(10), and one V(7) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one V(1), one V(12), and one V(9) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one V(10), one V(2), and two equivalent V(9) atoms. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to two equivalent Na(2) and one V(11) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one V(9) and two equivalent V(10) atoms. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one V(10), one V(11), and one V(3) atom. In the twenty-fifth O site, O(25) is bonded to one V(12), one V(4), and two equivalent V(11) atoms to form distorted corner-sharing OV4 trigonal pyramids. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one V(11) and two equivalent V(12) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.729
_cell_length_b   11.323
_cell_length_c   11.910
_cell_angle_alpha   69.040
_cell_angle_beta   89.989
_cell_angle_gamma   80.519
_symmetry_Int_Tables_number   1
_cell_volume   462.240
_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  0.173  0.652  0.719  1.0
  Na  Na1  1  0.822  0.349  0.282  1.0
  V  V2  1  0.055  0.892  0.966  1.0
  V  V3  1  0.562  0.875  0.772  1.0
  V  V4  1  0.575  0.855  0.484  1.0
  V  V5  1  0.075  0.856  0.284  1.0
  V  V6  1  0.773  0.452  0.921  1.0
  V  V7  1  0.751  0.491  0.606  1.0
  V  V8  1  0.241  0.509  0.393  1.0
  V  V9  1  0.222  0.548  0.077  1.0
  V  V10  1  0.928  0.144  0.716  1.0
  V  V11  1  0.429  0.144  0.516  1.0
  V  V12  1  0.440  0.124  0.228  1.0
  V  V13  1  0.949  0.109  0.034  1.0
  O  O14  1  0.554  0.894  0.933  1.0
  O  O15  1  0.042  0.916  0.784  1.0
  O  O16  1  0.546  0.915  0.607  1.0
  O  O17  1  0.066  0.875  0.443  1.0
  O  O18  1  0.642  0.717  0.814  1.0
  O  O19  1  0.557  0.894  0.303  1.0
  O  O20  1  0.046  0.911  0.113  1.0
  O  O21  1  0.656  0.693  0.555  1.0
  O  O22  1  0.250  0.494  0.934  1.0
  O  O23  1  0.154  0.694  0.329  1.0
  O  O24  1  0.751  0.492  0.760  1.0
  O  O25  1  0.143  0.710  0.025  1.0
  O  O26  1  0.247  0.499  0.570  1.0
  O  O27  1  0.747  0.501  0.429  1.0
  O  O28  1  0.855  0.290  0.974  1.0
  O  O29  1  0.241  0.509  0.238  1.0
  O  O30  1  0.845  0.306  0.671  1.0
  O  O31  1  0.743  0.505  0.065  1.0
  O  O32  1  0.348  0.307  0.444  1.0
  O  O33  1  0.955  0.089  0.888  1.0
  O  O34  1  0.447  0.107  0.697  1.0
  O  O35  1  0.358  0.282  0.187  1.0
  O  O36  1  0.940  0.124  0.557  1.0
  O  O37  1  0.462  0.083  0.394  1.0
  O  O38  1  0.960  0.083  0.216  1.0
  O  O39  1  0.450  0.106  0.068  1.0
[/CIF]
.