The crystal structure described by MgV6(HO3)6 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(11), one O(7), and two equivalent O(10) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(2)O5 trigonal bipyramids. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), one O(4), and one O(6) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(12) and one O(9) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(12) and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(3), two equivalent V(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one H(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) 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 bent 150 degrees geometry to one V(1) and one H(3) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(1) atoms. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one H(4) and two equivalent H(3) atoms. is represented by the CIF file [CIF]
data_MgV6(HO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   8.945
_cell_length_c   8.662
_cell_angle_alpha   89.990
_cell_angle_beta   108.772
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   381.711
_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
  Mg  Mg0  1  0.632  0.247  0.696  1.0
  V  V1  1  0.504  0.454  0.167  1.0
  V  V2  1  0.512  0.939  0.830  1.0
  V  V3  1  0.512  0.555  0.830  1.0
  V  V4  1  0.504  0.040  0.167  1.0
  V  V5  1  0.950  0.247  0.070  1.0
  V  V6  1  0.059  0.747  0.947  1.0
  H  H7  1  0.038  0.161  0.599  1.0
  H  H8  1  0.790  0.247  0.357  1.0
  H  H9  1  0.038  0.333  0.599  1.0
  H  H10  1  0.910  0.655  0.409  1.0
  H  H11  1  0.142  0.747  0.570  1.0
  H  H12  1  0.910  0.839  0.409  1.0
  O  O13  1  0.663  0.409  0.001  1.0
  O  O14  1  0.351  0.900  0.002  1.0
  O  O15  1  0.351  0.594  0.002  1.0
  O  O16  1  0.664  0.085  0.001  1.0
  O  O17  1  0.208  0.392  0.197  1.0
  O  O18  1  0.816  0.898  0.802  1.0
  O  O19  1  0.816  0.596  0.803  1.0
  O  O20  1  0.208  0.102  0.197  1.0
  O  O21  1  0.699  0.247  0.236  1.0
  O  O22  1  0.340  0.747  0.754  1.0
  O  O23  1  0.981  0.247  0.883  1.0
  O  O24  1  0.937  0.747  0.099  1.0
  O  O25  1  0.691  0.541  0.334  1.0
  O  O26  1  0.374  0.071  0.681  1.0
  O  O27  1  0.374  0.423  0.681  1.0
  O  O28  1  0.691  0.952  0.334  1.0
  O  O29  1  0.909  0.247  0.562  1.0
  O  O30  1  0.034  0.747  0.448  1.0
[/CIF]
.
The crystal structure described by MgV6(HO3)6 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(11), one O(7), and two equivalent O(10) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(2)O5 trigonal bipyramids. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), one O(4), and one O(6) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(12) and one O(9) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(12) and one O(6) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(3), two equivalent V(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one H(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(3) 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 bent 150 degrees geometry to one V(1) and one H(3) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(1) atoms. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one H(4) and two equivalent H(3) atoms. is represented by the CIF file [CIF]
data_MgV6(HO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   8.945
_cell_length_c   8.662
_cell_angle_alpha   89.990
_cell_angle_beta   108.772
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   381.711
_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
  Mg  Mg0  1  0.632  0.247  0.696  1.0
  V  V1  1  0.504  0.454  0.167  1.0
  V  V2  1  0.512  0.939  0.830  1.0
  V  V3  1  0.512  0.555  0.830  1.0
  V  V4  1  0.504  0.040  0.167  1.0
  V  V5  1  0.950  0.247  0.070  1.0
  V  V6  1  0.059  0.747  0.947  1.0
  H  H7  1  0.038  0.161  0.599  1.0
  H  H8  1  0.790  0.247  0.357  1.0
  H  H9  1  0.038  0.333  0.599  1.0
  H  H10  1  0.910  0.655  0.409  1.0
  H  H11  1  0.142  0.747  0.570  1.0
  H  H12  1  0.910  0.839  0.409  1.0
  O  O13  1  0.663  0.409  0.001  1.0
  O  O14  1  0.351  0.900  0.002  1.0
  O  O15  1  0.351  0.594  0.002  1.0
  O  O16  1  0.664  0.085  0.001  1.0
  O  O17  1  0.208  0.392  0.197  1.0
  O  O18  1  0.816  0.898  0.802  1.0
  O  O19  1  0.816  0.596  0.803  1.0
  O  O20  1  0.208  0.102  0.197  1.0
  O  O21  1  0.699  0.247  0.236  1.0
  O  O22  1  0.340  0.747  0.754  1.0
  O  O23  1  0.981  0.247  0.883  1.0
  O  O24  1  0.937  0.747  0.099  1.0
  O  O25  1  0.691  0.541  0.334  1.0
  O  O26  1  0.374  0.071  0.681  1.0
  O  O27  1  0.374  0.423  0.681  1.0
  O  O28  1  0.691  0.952  0.334  1.0
  O  O29  1  0.909  0.247  0.562  1.0
  O  O30  1  0.034  0.747  0.448  1.0
[/CIF]
.