The crystal structure described by V3(H3O5)2 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(7), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form distorted corner-sharing VO5 trigonal bipyramids. In the third V site, V(3) is bonded to one O(10), one O(11), one O(15), and one O(3) atom to form VO4 tetrahedra that share  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(12), one O(15), one O(4), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. In the fifth V site, V(5) is bonded to one O(13), one O(16), one O(5), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one V(6)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. In the sixth V site, V(6) is bonded to one O(14), one O(16), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(20) atom. In the second H site, H(2) is bonded in a linear geometry to one O(17) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(17) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(13) and one O(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(18) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(18) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(14) and one O(18) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(19) atom. In the ninth H site, H(9) is bonded in a distorted linear geometry to one O(13) and one O(19) atom. In the tenth H site, H(10) is bonded in a linear geometry to one O(19) and one O(3) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(20) atom. In the twelfth H site, H(12) is bonded in a distorted linear geometry to one O(12) and one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one H(10) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one V(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one V(4) and one H(12) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one V(5), one H(4), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(6) and one H(7) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the eighteenth O site, O(18) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. In the nineteenth O site, O(19) is bonded in a trigonal non-coplanar geometry to one H(10), one H(8), and one H(9) atom. In the twentieth O site, O(20) is bonded in a trigonal non-coplanar geometry to one H(1), one H(11), and one H(12) atom. is represented by the CIF file [CIF]
data_V3(H3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   8.907
_cell_length_c   9.072
_cell_angle_alpha   88.652
_cell_angle_beta   86.153
_cell_angle_gamma   81.796
_symmetry_Int_Tables_number   1
_cell_volume   487.505
_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
  V  V0  1  0.734  0.495  0.497  1.0
  V  V1  1  0.729  0.993  0.003  1.0
  V  V2  1  0.750  0.365  0.876  1.0
  V  V3  1  0.760  0.630  0.136  1.0
  V  V4  1  0.684  0.130  0.371  1.0
  V  V5  1  0.710  0.856  0.646  1.0
  H  H6  1  0.346  0.655  0.447  1.0
  H  H7  1  0.341  0.128  0.063  1.0
  H  H8  1  0.291  0.329  0.083  1.0
  H  H9  1  0.288  0.224  0.234  1.0
  H  H10  1  0.121  0.723  0.894  1.0
  H  H11  1  0.308  0.586  0.846  1.0
  H  H12  1  0.337  0.788  0.732  1.0
  H  H13  1  0.199  0.096  0.698  1.0
  H  H14  1  0.270  0.182  0.551  1.0
  H  H15  1  1.000  0.297  0.662  1.0
  H  H16  1  0.285  0.849  0.412  1.0
  H  H17  1  0.332  0.732  0.272  1.0
  O  O18  1  0.457  0.541  0.509  1.0
  O  O19  1  0.448  0.020  0.004  1.0
  O  O20  1  0.855  0.382  0.681  1.0
  O  O21  1  0.842  0.574  0.312  1.0
  O  O22  1  0.772  0.070  0.195  1.0
  O  O23  1  0.814  0.904  0.807  1.0
  O  O24  1  0.785  0.296  0.411  1.0
  O  O25  1  0.814  0.674  0.597  1.0
  O  O26  1  0.864  0.797  0.075  1.0
  O  O27  1  0.828  0.177  0.923  1.0
  O  O28  1  0.478  0.409  0.891  1.0
  O  O29  1  0.485  0.663  0.142  1.0
  O  O30  1  0.403  0.156  0.385  1.0
  O  O31  1  0.419  0.869  0.667  1.0
  O  O32  1  0.862  0.485  0.998  1.0
  O  O33  1  0.783  0.984  0.503  1.0
  O  O34  1  0.240  0.238  0.129  1.0
  O  O35  1  0.222  0.682  0.812  1.0
  O  O36  1  0.197  0.197  0.653  1.0
  O  O37  1  0.257  0.751  0.377  1.0
[/CIF]
.
The crystal structure described by V3(H3O5)2 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(7), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form distorted corner-sharing VO5 trigonal bipyramids. In the third V site, V(3) is bonded to one O(10), one O(11), one O(15), and one O(3) atom to form VO4 tetrahedra that share  a cornercorner with one V(4)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(12), one O(15), one O(4), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. In the fifth V site, V(5) is bonded to one O(13), one O(16), one O(5), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one V(6)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. In the sixth V site, V(6) is bonded to one O(14), one O(16), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  a cornercorner with one V(2)O5 trigonal bipyramid. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(20) atom. In the second H site, H(2) is bonded in a linear geometry to one O(17) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(17) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(13) and one O(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(18) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(18) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(14) and one O(18) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(19) atom. In the ninth H site, H(9) is bonded in a distorted linear geometry to one O(13) and one O(19) atom. In the tenth H site, H(10) is bonded in a linear geometry to one O(19) and one O(3) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(20) atom. In the twelfth H site, H(12) is bonded in a distorted linear geometry to one O(12) and one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(2) and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one H(10) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one V(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one V(4) and one H(12) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one V(5), one H(4), and one H(9) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(6) and one H(7) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the eighteenth O site, O(18) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. In the nineteenth O site, O(19) is bonded in a trigonal non-coplanar geometry to one H(10), one H(8), and one H(9) atom. In the twentieth O site, O(20) is bonded in a trigonal non-coplanar geometry to one H(1), one H(11), and one H(12) atom. is represented by the CIF file [CIF]
data_V3(H3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   8.907
_cell_length_c   9.072
_cell_angle_alpha   88.652
_cell_angle_beta   86.153
_cell_angle_gamma   81.796
_symmetry_Int_Tables_number   1
_cell_volume   487.505
_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
  V  V0  1  0.734  0.495  0.497  1.0
  V  V1  1  0.729  0.993  0.003  1.0
  V  V2  1  0.750  0.365  0.876  1.0
  V  V3  1  0.760  0.630  0.136  1.0
  V  V4  1  0.684  0.130  0.371  1.0
  V  V5  1  0.710  0.856  0.646  1.0
  H  H6  1  0.346  0.655  0.447  1.0
  H  H7  1  0.341  0.128  0.063  1.0
  H  H8  1  0.291  0.329  0.083  1.0
  H  H9  1  0.288  0.224  0.234  1.0
  H  H10  1  0.121  0.723  0.894  1.0
  H  H11  1  0.308  0.586  0.846  1.0
  H  H12  1  0.337  0.788  0.732  1.0
  H  H13  1  0.199  0.096  0.698  1.0
  H  H14  1  0.270  0.182  0.551  1.0
  H  H15  1  1.000  0.297  0.662  1.0
  H  H16  1  0.285  0.849  0.412  1.0
  H  H17  1  0.332  0.732  0.272  1.0
  O  O18  1  0.457  0.541  0.509  1.0
  O  O19  1  0.448  0.020  0.004  1.0
  O  O20  1  0.855  0.382  0.681  1.0
  O  O21  1  0.842  0.574  0.312  1.0
  O  O22  1  0.772  0.070  0.195  1.0
  O  O23  1  0.814  0.904  0.807  1.0
  O  O24  1  0.785  0.296  0.411  1.0
  O  O25  1  0.814  0.674  0.597  1.0
  O  O26  1  0.864  0.797  0.075  1.0
  O  O27  1  0.828  0.177  0.923  1.0
  O  O28  1  0.478  0.409  0.891  1.0
  O  O29  1  0.485  0.663  0.142  1.0
  O  O30  1  0.403  0.156  0.385  1.0
  O  O31  1  0.419  0.869  0.667  1.0
  O  O32  1  0.862  0.485  0.998  1.0
  O  O33  1  0.783  0.984  0.503  1.0
  O  O34  1  0.240  0.238  0.129  1.0
  O  O35  1  0.222  0.682  0.812  1.0
  O  O36  1  0.197  0.197  0.653  1.0
  O  O37  1  0.257  0.751  0.377  1.0
[/CIF]
.