The material described by NaV6O15 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), two equivalent O(14), two equivalent O(15), and two equivalent O(7) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(7), one O(9), and two equivalent O(3) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), 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(1), one O(11), one O(2), one O(9), and two equivalent O(5) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(6), and two equivalent O(13) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(9), and two equivalent O(12) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one V(2), one V(4), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(3), and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(1) and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one V(2), one V(4), and one V(6) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Na(1) and one V(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(1) and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(5) atoms. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one V(5) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(6) atom. is represented by the CIF file [CIF]
data_NaV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   9.627
_cell_angle_alpha   84.810
_cell_angle_beta   84.810
_cell_angle_gamma   25.935
_symmetry_Int_Tables_number   1
_cell_volume   278.338
_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  0.073  0.073  0.418  1.0
  V  V1  1  0.314  0.314  0.912  1.0
  V  V2  1  0.683  0.683  0.114  1.0
  V  V3  1  0.113  0.113  0.872  1.0
  V  V4  1  0.918  0.918  0.107  1.0
  V  V5  1  0.391  0.391  0.589  1.0
  V  V6  1  0.780  0.780  0.421  1.0
  O  O7  1  0.012  0.012  0.000  1.0
  O  O8  1  0.818  0.818  0.960  1.0
  O  O9  1  0.204  0.204  0.069  1.0
  O  O10  1  0.629  0.629  0.928  1.0
  O  O11  1  0.385  0.385  0.079  1.0
  O  O12  1  0.400  0.400  0.773  1.0
  O  O13  1  0.602  0.602  0.232  1.0
  O  O14  1  0.232  0.232  0.802  1.0
  O  O15  1  0.772  0.772  0.238  1.0
  O  O16  1  0.075  0.075  0.722  1.0
  O  O17  1  0.943  0.943  0.269  1.0
  O  O18  1  0.313  0.313  0.439  1.0
  O  O19  1  0.856  0.856  0.580  1.0
  O  O20  1  0.488  0.488  0.514  1.0
  O  O21  1  0.681  0.681  0.486  1.0
[/CIF]
.
The material described by NaV6O15 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), two equivalent O(14), two equivalent O(15), and two equivalent O(7) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(7), one O(9), and two equivalent O(3) atoms. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), 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(1), one O(11), one O(2), one O(9), and two equivalent O(5) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(6), and two equivalent O(13) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(9), and two equivalent O(12) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one V(2), one V(4), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), one V(3), and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(1) and one V(5) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one V(2), one V(4), and one V(6) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Na(1) and one V(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(1) and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(5) atoms. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one V(5) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(6) atom. is represented by the CIF file [CIF]
data_NaV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   9.627
_cell_angle_alpha   84.810
_cell_angle_beta   84.810
_cell_angle_gamma   25.935
_symmetry_Int_Tables_number   1
_cell_volume   278.338
_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  0.073  0.073  0.418  1.0
  V  V1  1  0.314  0.314  0.912  1.0
  V  V2  1  0.683  0.683  0.114  1.0
  V  V3  1  0.113  0.113  0.872  1.0
  V  V4  1  0.918  0.918  0.107  1.0
  V  V5  1  0.391  0.391  0.589  1.0
  V  V6  1  0.780  0.780  0.421  1.0
  O  O7  1  0.012  0.012  0.000  1.0
  O  O8  1  0.818  0.818  0.960  1.0
  O  O9  1  0.204  0.204  0.069  1.0
  O  O10  1  0.629  0.629  0.928  1.0
  O  O11  1  0.385  0.385  0.079  1.0
  O  O12  1  0.400  0.400  0.773  1.0
  O  O13  1  0.602  0.602  0.232  1.0
  O  O14  1  0.232  0.232  0.802  1.0
  O  O15  1  0.772  0.772  0.238  1.0
  O  O16  1  0.075  0.075  0.722  1.0
  O  O17  1  0.943  0.943  0.269  1.0
  O  O18  1  0.313  0.313  0.439  1.0
  O  O19  1  0.856  0.856  0.580  1.0
  O  O20  1  0.488  0.488  0.514  1.0
  O  O21  1  0.681  0.681  0.486  1.0
[/CIF]
.