The crystal structure described by V12O29 crystallizes in the monoclinic C2/m space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(2), one O(4), and two equivalent O(12) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(9) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(10) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(7), one O(8), and two equivalent O(5) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(9), and two equivalent O(3) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(14), and two equivalent O(1) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one V(3), and two equivalent V(6) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(5) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one V(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(2) atoms. In the tenth O site, O(10) is bonded to one V(4), one V(6), and two equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(1) atoms. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one V(5) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one V(6) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V12O29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.343
_cell_length_b   14.343
_cell_length_c   10.327
_cell_angle_alpha   77.771
_cell_angle_beta   77.771
_cell_angle_gamma   14.705
_symmetry_Int_Tables_number   1
_cell_volume   526.855
_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
  V  V0  1  0.938  0.938  0.086  1.0
  V  V1  1  0.851  0.851  0.343  1.0
  V  V2  1  0.822  0.822  0.027  1.0
  V  V3  1  0.698  0.698  0.207  1.0
  V  V4  1  0.608  0.608  0.468  1.0
  V  V5  1  0.586  0.586  0.144  1.0
  V  V6  1  0.414  0.414  0.856  1.0
  V  V7  1  0.392  0.392  0.532  1.0
  V  V8  1  0.302  0.302  0.793  1.0
  V  V9  1  0.178  0.178  0.973  1.0
  V  V10  1  0.149  0.149  0.657  1.0
  V  V11  1  0.062  0.062  0.914  1.0
  O  O12  1  0.901  0.901  0.903  1.0
  O  O13  1  0.942  0.942  0.241  1.0
  O  O14  1  0.875  0.875  0.515  1.0
  O  O15  1  0.862  0.862  0.161  1.0
  O  O16  1  0.807  0.807  0.840  1.0
  O  O17  1  0.794  0.794  0.388  1.0
  O  O18  1  0.764  0.764  0.122  1.0
  O  O19  1  0.702  0.702  0.361  1.0
  O  O20  1  0.631  0.631  0.635  1.0
  O  O21  1  0.667  0.667  0.025  1.0
  O  O22  1  0.623  0.623  0.279  1.0
  O  O23  1  0.571  0.571  0.961  1.0
  O  O24  1  0.551  0.551  0.503  1.0
  O  O25  1  0.533  0.533  0.234  1.0
  O  O26  1  0.467  0.467  0.766  1.0
  O  O27  1  0.000  0.000  0.000  1.0
  O  O28  1  0.449  0.449  0.497  1.0
  O  O29  1  0.429  0.429  0.039  1.0
  O  O30  1  0.377  0.377  0.721  1.0
  O  O31  1  0.333  0.333  0.975  1.0
  O  O32  1  0.369  0.369  0.365  1.0
  O  O33  1  0.298  0.298  0.639  1.0
  O  O34  1  0.236  0.236  0.878  1.0
  O  O35  1  0.206  0.206  0.612  1.0
  O  O36  1  0.193  0.193  0.160  1.0
  O  O37  1  0.138  0.138  0.839  1.0
  O  O38  1  0.125  0.125  0.485  1.0
  O  O39  1  0.058  0.058  0.759  1.0
  O  O40  1  0.099  0.099  0.097  1.0
[/CIF]
.
The crystal structure described by V12O29 crystallizes in the monoclinic C2/m space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(2), one O(4), and two equivalent O(12) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(9) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and two equivalent O(10) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(7), one O(8), and two equivalent O(5) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(9), and two equivalent O(3) atoms. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(14), and two equivalent O(1) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one V(3), and two equivalent V(6) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(5) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one V(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(5) and two equivalent V(2) atoms. In the tenth O site, O(10) is bonded to one V(4), one V(6), and two equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(6) and two equivalent V(1) atoms. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one V(5) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one V(6) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V12O29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.343
_cell_length_b   14.343
_cell_length_c   10.327
_cell_angle_alpha   77.771
_cell_angle_beta   77.771
_cell_angle_gamma   14.705
_symmetry_Int_Tables_number   1
_cell_volume   526.855
_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
  V  V0  1  0.938  0.938  0.086  1.0
  V  V1  1  0.851  0.851  0.343  1.0
  V  V2  1  0.822  0.822  0.027  1.0
  V  V3  1  0.698  0.698  0.207  1.0
  V  V4  1  0.608  0.608  0.468  1.0
  V  V5  1  0.586  0.586  0.144  1.0
  V  V6  1  0.414  0.414  0.856  1.0
  V  V7  1  0.392  0.392  0.532  1.0
  V  V8  1  0.302  0.302  0.793  1.0
  V  V9  1  0.178  0.178  0.973  1.0
  V  V10  1  0.149  0.149  0.657  1.0
  V  V11  1  0.062  0.062  0.914  1.0
  O  O12  1  0.901  0.901  0.903  1.0
  O  O13  1  0.942  0.942  0.241  1.0
  O  O14  1  0.875  0.875  0.515  1.0
  O  O15  1  0.862  0.862  0.161  1.0
  O  O16  1  0.807  0.807  0.840  1.0
  O  O17  1  0.794  0.794  0.388  1.0
  O  O18  1  0.764  0.764  0.122  1.0
  O  O19  1  0.702  0.702  0.361  1.0
  O  O20  1  0.631  0.631  0.635  1.0
  O  O21  1  0.667  0.667  0.025  1.0
  O  O22  1  0.623  0.623  0.279  1.0
  O  O23  1  0.571  0.571  0.961  1.0
  O  O24  1  0.551  0.551  0.503  1.0
  O  O25  1  0.533  0.533  0.234  1.0
  O  O26  1  0.467  0.467  0.766  1.0
  O  O27  1  0.000  0.000  0.000  1.0
  O  O28  1  0.449  0.449  0.497  1.0
  O  O29  1  0.429  0.429  0.039  1.0
  O  O30  1  0.377  0.377  0.721  1.0
  O  O31  1  0.333  0.333  0.975  1.0
  O  O32  1  0.369  0.369  0.365  1.0
  O  O33  1  0.298  0.298  0.639  1.0
  O  O34  1  0.236  0.236  0.878  1.0
  O  O35  1  0.206  0.206  0.612  1.0
  O  O36  1  0.193  0.193  0.160  1.0
  O  O37  1  0.138  0.138  0.839  1.0
  O  O38  1  0.125  0.125  0.485  1.0
  O  O39  1  0.058  0.058  0.759  1.0
  O  O40  1  0.099  0.099  0.097  1.0
[/CIF]
.