The compound described by MgV2(H2O3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two 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(5), one O(6), and two equivalent O(1) atoms. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(4) and one O(6) 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 distorted linear geometry to one O(2) and one O(5) 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 distorted 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 distorted trigonal planar 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 Mg(1), 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 one V(1), one V(2), one H(3), 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), one H(1), 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   3.909
_cell_length_b   6.230
_cell_length_c   5.561
_cell_angle_alpha   65.763
_cell_angle_beta   74.498
_cell_angle_gamma   82.891
_symmetry_Int_Tables_number   1
_cell_volume   118.969
_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  0.013  0.999  0.506  1.0
  V  V1  1  0.480  0.248  0.756  1.0
  V  V2  1  0.538  0.758  0.249  1.0
  H  H3  1  0.557  0.237  0.199  1.0
  H  H4  1  0.930  0.428  0.303  1.0
  H  H5  1  0.458  0.768  0.808  1.0
  H  H6  1  0.087  0.574  0.695  1.0
  O  O7  1  0.031  0.220  0.698  1.0
  O  O8  1  0.600  0.877  0.836  1.0
  O  O9  1  0.986  0.786  0.307  1.0
  O  O10  1  0.416  0.129  0.170  1.0
  O  O11  1  0.331  0.610  0.682  1.0
  O  O12  1  0.682  0.397  0.322  1.0
[/CIF]
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The compound described by MgV2(H2O3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two 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(5), one O(6), and two equivalent O(1) atoms. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(4) and one O(6) 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 distorted linear geometry to one O(2) and one O(5) 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 distorted 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 distorted trigonal planar 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 Mg(1), 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 one V(1), one V(2), one H(3), 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), one H(1), 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   3.909
_cell_length_b   6.230
_cell_length_c   5.561
_cell_angle_alpha   65.763
_cell_angle_beta   74.498
_cell_angle_gamma   82.891
_symmetry_Int_Tables_number   1
_cell_volume   118.969
_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  0.013  0.999  0.506  1.0
  V  V1  1  0.480  0.248  0.756  1.0
  V  V2  1  0.538  0.758  0.249  1.0
  H  H3  1  0.557  0.237  0.199  1.0
  H  H4  1  0.930  0.428  0.303  1.0
  H  H5  1  0.458  0.768  0.808  1.0
  H  H6  1  0.087  0.574  0.695  1.0
  O  O7  1  0.031  0.220  0.698  1.0
  O  O8  1  0.600  0.877  0.836  1.0
  O  O9  1  0.986  0.786  0.307  1.0
  O  O10  1  0.416  0.129  0.170  1.0
  O  O11  1  0.331  0.610  0.682  1.0
  O  O12  1  0.682  0.397  0.322  1.0
[/CIF]
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