The material described by NaV6O15 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(3), one O(4), two equivalent O(11), and two equivalent O(12) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and two equivalent O(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(8), and two equivalent O(2) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(5), one O(6), and one O(8) atom. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(8), and two equivalent O(13) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(7), and two equivalent O(14) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one V(2), one V(3), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded to one V(1), one V(4), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one V(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1) and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(5) atom. 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 distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(6) atoms. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(3) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   8.035
_cell_length_c   10.277
_cell_angle_alpha   109.219
_cell_angle_beta   89.999
_cell_angle_gamma   103.141
_symmetry_Int_Tables_number   1
_cell_volume   552.806
_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  0.752  0.009  0.395  1.0
  Na  Na1  1  0.248  0.991  0.605  1.0
  V  V2  1  0.581  0.326  0.898  1.0
  V  V3  1  0.082  0.326  0.898  1.0
  V  V4  1  0.692  0.766  0.882  1.0
  V  V5  1  0.192  0.768  0.885  1.0
  V  V6  1  0.107  0.427  0.592  1.0
  V  V7  1  0.607  0.427  0.591  1.0
  V  V8  1  0.893  0.573  0.408  1.0
  V  V9  1  0.393  0.573  0.409  1.0
  V  V10  1  0.808  0.232  0.115  1.0
  V  V11  1  0.308  0.234  0.118  1.0
  V  V12  1  0.918  0.674  0.102  1.0
  V  V13  1  0.419  0.674  0.102  1.0
  O  O14  1  0.343  0.373  0.945  1.0
  O  O15  1  0.843  0.370  0.946  1.0
  O  O16  1  0.038  0.127  0.779  1.0
  O  O17  1  0.525  0.127  0.779  1.0
  O  O18  1  0.933  0.733  0.925  1.0
  O  O19  1  0.433  0.733  0.925  1.0
  O  O20  1  0.619  0.475  0.779  1.0
  O  O21  1  0.119  0.474  0.779  1.0
  O  O22  1  0.696  0.784  0.729  1.0
  O  O23  1  0.196  0.783  0.729  1.0
  O  O24  1  0.551  0.206  0.531  1.0
  O  O25  1  0.052  0.206  0.531  1.0
  O  O26  1  0.872  0.489  0.575  1.0
  O  O27  1  0.372  0.490  0.575  1.0
  O  O28  1  0.128  0.511  0.425  1.0
  O  O29  1  0.628  0.510  0.425  1.0
  O  O30  1  0.948  0.794  0.469  1.0
  O  O31  1  0.449  0.794  0.469  1.0
  O  O32  1  0.304  0.216  0.271  1.0
  O  O33  1  0.804  0.217  0.271  1.0
  O  O34  1  0.881  0.526  0.221  1.0
  O  O35  1  0.381  0.525  0.221  1.0
  O  O36  1  0.067  0.267  0.075  1.0
  O  O37  1  0.567  0.267  0.075  1.0
  O  O38  1  0.750  0.001  0.001  1.0
  O  O39  1  0.250  0.999  0.999  1.0
  O  O40  1  0.962  0.873  0.221  1.0
  O  O41  1  0.475  0.873  0.221  1.0
  O  O42  1  0.657  0.627  0.055  1.0
  O  O43  1  0.157  0.630  0.054  1.0
[/CIF]
.
The material described by NaV6O15 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(3), one O(4), two equivalent O(11), and two equivalent O(12) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and two equivalent O(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(8), and two equivalent O(2) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(2), one O(5), one O(6), and one O(8) atom. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(8), and two equivalent O(13) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(7), and two equivalent O(14) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one V(2), one V(3), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded to one V(1), one V(4), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one V(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1) and one V(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one V(5) atom. 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 distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(6) atoms. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(3) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.304
_cell_length_b   8.035
_cell_length_c   10.277
_cell_angle_alpha   109.219
_cell_angle_beta   89.999
_cell_angle_gamma   103.141
_symmetry_Int_Tables_number   1
_cell_volume   552.806
_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  0.752  0.009  0.395  1.0
  Na  Na1  1  0.248  0.991  0.605  1.0
  V  V2  1  0.581  0.326  0.898  1.0
  V  V3  1  0.082  0.326  0.898  1.0
  V  V4  1  0.692  0.766  0.882  1.0
  V  V5  1  0.192  0.768  0.885  1.0
  V  V6  1  0.107  0.427  0.592  1.0
  V  V7  1  0.607  0.427  0.591  1.0
  V  V8  1  0.893  0.573  0.408  1.0
  V  V9  1  0.393  0.573  0.409  1.0
  V  V10  1  0.808  0.232  0.115  1.0
  V  V11  1  0.308  0.234  0.118  1.0
  V  V12  1  0.918  0.674  0.102  1.0
  V  V13  1  0.419  0.674  0.102  1.0
  O  O14  1  0.343  0.373  0.945  1.0
  O  O15  1  0.843  0.370  0.946  1.0
  O  O16  1  0.038  0.127  0.779  1.0
  O  O17  1  0.525  0.127  0.779  1.0
  O  O18  1  0.933  0.733  0.925  1.0
  O  O19  1  0.433  0.733  0.925  1.0
  O  O20  1  0.619  0.475  0.779  1.0
  O  O21  1  0.119  0.474  0.779  1.0
  O  O22  1  0.696  0.784  0.729  1.0
  O  O23  1  0.196  0.783  0.729  1.0
  O  O24  1  0.551  0.206  0.531  1.0
  O  O25  1  0.052  0.206  0.531  1.0
  O  O26  1  0.872  0.489  0.575  1.0
  O  O27  1  0.372  0.490  0.575  1.0
  O  O28  1  0.128  0.511  0.425  1.0
  O  O29  1  0.628  0.510  0.425  1.0
  O  O30  1  0.948  0.794  0.469  1.0
  O  O31  1  0.449  0.794  0.469  1.0
  O  O32  1  0.304  0.216  0.271  1.0
  O  O33  1  0.804  0.217  0.271  1.0
  O  O34  1  0.881  0.526  0.221  1.0
  O  O35  1  0.381  0.525  0.221  1.0
  O  O36  1  0.067  0.267  0.075  1.0
  O  O37  1  0.567  0.267  0.075  1.0
  O  O38  1  0.750  0.001  0.001  1.0
  O  O39  1  0.250  0.999  0.999  1.0
  O  O40  1  0.962  0.873  0.221  1.0
  O  O41  1  0.475  0.873  0.221  1.0
  O  O42  1  0.657  0.627  0.055  1.0
  O  O43  1  0.157  0.630  0.054  1.0
[/CIF]
.