The material structure described by NaV6O15 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(15), one O(2), and one O(7) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), and one O(3) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(13), one O(4), one O(5), and one O(7) atom to form corner-sharing VO4 tetrahedra. In the third V site, V(3) is bonded to one O(14), one O(5), one O(6), and one O(8) atom to form corner-sharing VO4 tetrahedra. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), and one O(9) atom to form corner-sharing VO4 tetrahedra. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(13), and one O(4) atom to form corner-sharing VO4 tetrahedra. In the sixth V site, V(6) is bonded to one O(1), one O(14), one O(15), and one O(6) atom to form corner-sharing VO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one V(6) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(3) and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one V(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one V(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Na(1) and one V(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(3) and one V(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Na(1) and one V(6) atom. is represented by the CIF card [CIF]
data_NaV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   8.132
_cell_length_c   9.007
_cell_angle_alpha   88.237
_cell_angle_beta   86.438
_cell_angle_gamma   98.581
_symmetry_Int_Tables_number   1
_cell_volume   416.564
_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  0.018  0.975  0.509  1.0
  V  V1  1  0.042  0.194  0.089  1.0
  V  V2  1  0.359  0.607  0.458  1.0
  V  V3  1  0.417  0.722  0.090  1.0
  V  V4  1  0.584  0.274  0.910  1.0
  V  V5  1  0.807  0.403  0.555  1.0
  V  V6  1  0.949  0.799  0.922  1.0
  O  O7  1  0.992  0.988  0.016  1.0
  O  O8  1  0.076  0.176  0.267  1.0
  O  O9  1  0.294  0.310  0.989  1.0
  O  O10  1  0.138  0.451  0.539  1.0
  O  O11  1  0.327  0.602  0.256  1.0
  O  O12  1  0.196  0.697  0.954  1.0
  O  O13  1  0.311  0.791  0.513  1.0
  O  O14  1  0.461  0.915  0.135  1.0
  O  O15  1  0.556  0.087  0.849  1.0
  O  O16  1  0.707  0.217  0.501  1.0
  O  O17  1  0.791  0.290  0.057  1.0
  O  O18  1  0.702  0.406  0.759  1.0
  O  O19  1  0.651  0.576  0.487  1.0
  O  O20  1  0.690  0.672  0.007  1.0
  O  O21  1  0.927  0.833  0.744  1.0
[/CIF]
.
The material structure described by NaV6O15 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(15), one O(2), and one O(7) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), and one O(3) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(13), one O(4), one O(5), and one O(7) atom to form corner-sharing VO4 tetrahedra. In the third V site, V(3) is bonded to one O(14), one O(5), one O(6), and one O(8) atom to form corner-sharing VO4 tetrahedra. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(3), and one O(9) atom to form corner-sharing VO4 tetrahedra. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(13), and one O(4) atom to form corner-sharing VO4 tetrahedra. In the sixth V site, V(6) is bonded to one O(1), one O(14), one O(15), and one O(6) atom to form corner-sharing VO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one V(6) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(3) and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one V(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one V(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Na(1) and one V(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(3) and one V(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Na(1) and one V(6) atom. is represented by the CIF card [CIF]
data_NaV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   8.132
_cell_length_c   9.007
_cell_angle_alpha   88.237
_cell_angle_beta   86.438
_cell_angle_gamma   98.581
_symmetry_Int_Tables_number   1
_cell_volume   416.564
_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  0.018  0.975  0.509  1.0
  V  V1  1  0.042  0.194  0.089  1.0
  V  V2  1  0.359  0.607  0.458  1.0
  V  V3  1  0.417  0.722  0.090  1.0
  V  V4  1  0.584  0.274  0.910  1.0
  V  V5  1  0.807  0.403  0.555  1.0
  V  V6  1  0.949  0.799  0.922  1.0
  O  O7  1  0.992  0.988  0.016  1.0
  O  O8  1  0.076  0.176  0.267  1.0
  O  O9  1  0.294  0.310  0.989  1.0
  O  O10  1  0.138  0.451  0.539  1.0
  O  O11  1  0.327  0.602  0.256  1.0
  O  O12  1  0.196  0.697  0.954  1.0
  O  O13  1  0.311  0.791  0.513  1.0
  O  O14  1  0.461  0.915  0.135  1.0
  O  O15  1  0.556  0.087  0.849  1.0
  O  O16  1  0.707  0.217  0.501  1.0
  O  O17  1  0.791  0.290  0.057  1.0
  O  O18  1  0.702  0.406  0.759  1.0
  O  O19  1  0.651  0.576  0.487  1.0
  O  O20  1  0.690  0.672  0.007  1.0
  O  O21  1  0.927  0.833  0.744  1.0
[/CIF]
.