The material structure described by MgV2(H2O3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one V(2), and one H(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one V(1), one V(2), and one H(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(H2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.999
_cell_length_b   6.235
_cell_length_c   6.324
_cell_angle_alpha   63.740
_cell_angle_beta   66.694
_cell_angle_gamma   67.152
_symmetry_Int_Tables_number   1
_cell_volume   125.421
_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  0.857  0.623  0.619  1.0
  V  V1  1  0.515  0.228  0.742  1.0
  V  V2  1  0.529  0.739  0.230  1.0
  H  H3  1  0.521  0.179  0.169  1.0
  H  H4  1  0.930  0.271  0.277  1.0
  H  H5  1  0.332  0.860  0.900  1.0
  H  H6  1  0.191  0.756  0.723  1.0
  O  O7  1  0.998  0.258  0.750  1.0
  O  O8  1  0.609  0.838  0.844  1.0
  O  O9  1  0.009  0.749  0.254  1.0
  O  O10  1  0.365  0.126  0.124  1.0
  O  O11  1  0.341  0.643  0.630  1.0
  O  O12  1  0.678  0.357  0.363  1.0
[/CIF]
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The material structure described by MgV2(H2O3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one V(2), and one H(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one V(1), one V(2), and one H(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(H2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.999
_cell_length_b   6.235
_cell_length_c   6.324
_cell_angle_alpha   63.740
_cell_angle_beta   66.694
_cell_angle_gamma   67.152
_symmetry_Int_Tables_number   1
_cell_volume   125.421
_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  0.857  0.623  0.619  1.0
  V  V1  1  0.515  0.228  0.742  1.0
  V  V2  1  0.529  0.739  0.230  1.0
  H  H3  1  0.521  0.179  0.169  1.0
  H  H4  1  0.930  0.271  0.277  1.0
  H  H5  1  0.332  0.860  0.900  1.0
  H  H6  1  0.191  0.756  0.723  1.0
  O  O7  1  0.998  0.258  0.750  1.0
  O  O8  1  0.609  0.838  0.844  1.0
  O  O9  1  0.009  0.749  0.254  1.0
  O  O10  1  0.365  0.126  0.124  1.0
  O  O11  1  0.341  0.643  0.630  1.0
  O  O12  1  0.678  0.357  0.363  1.0
[/CIF]
.