The structure described by MgV6(HO3)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(16), and one O(18) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), 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(10), one O(14), one O(2), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. In the third V site, V(3) is bonded to one O(1), one O(10), one O(15), one O(3), and one O(7) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. In the fourth V site, V(4) is bonded to one O(16), one O(2), one O(4), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(5), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. In the sixth V site, V(6) is bonded to one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing VO5 trigonal bipyramids. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(18) and one O(7) atom. In the second H site, H(2) is bonded in a linear geometry to one O(14) and one O(17) atom. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(17) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(15) 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 distorted single-bond geometry to one O(14) and one O(16) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) 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 3-coordinate geometry to one V(3), one V(6), and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(5) and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one H(2), and one H(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(4), and one H(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 distorted trigonal planar geometry to one Mg(1), one H(1), and one H(5) atom. is represented by the CIF card [CIF]
data_MgV6(HO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   8.970
_cell_length_c   7.823
_cell_angle_alpha   84.428
_cell_angle_beta   102.446
_cell_angle_gamma   92.073
_symmetry_Int_Tables_number   1
_cell_volume   382.831
_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  0.322  0.693  0.429  1.0
  V  V1  1  0.434  0.427  0.154  1.0
  V  V2  1  0.577  0.945  0.822  1.0
  V  V3  1  0.565  0.576  0.815  1.0
  V  V4  1  0.428  0.052  0.156  1.0
  V  V5  1  0.895  0.254  0.997  1.0
  V  V6  1  0.108  0.746  0.972  1.0
  H  H7  1  0.954  0.638  0.615  1.0
  H  H8  1  0.296  0.176  0.590  1.0
  H  H9  1  0.066  0.263  0.651  1.0
  H  H10  1  0.283  0.361  0.580  1.0
  H  H11  1  0.849  0.622  0.412  1.0
  H  H12  1  0.507  0.969  0.463  1.0
  O  O13  1  0.642  0.406  0.992  1.0
  O  O14  1  0.378  0.891  0.992  1.0
  O  O15  1  0.349  0.590  0.969  1.0
  O  O16  1  0.635  0.099  0.992  1.0
  O  O17  1  0.131  0.379  0.144  1.0
  O  O18  1  0.881  0.903  0.849  1.0
  O  O19  1  0.874  0.620  0.821  1.0
  O  O20  1  0.128  0.094  0.108  1.0
  O  O21  1  0.540  0.223  0.243  1.0
  O  O22  1  0.453  0.767  0.719  1.0
  O  O23  1  0.934  0.277  0.793  1.0
  O  O24  1  0.084  0.719  0.181  1.0
  O  O25  1  0.531  0.539  0.317  1.0
  O  O26  1  0.483  0.060  0.637  1.0
  O  O27  1  0.439  0.498  0.628  1.0
  O  O28  1  0.480  0.912  0.355  1.0
  O  O29  1  0.176  0.266  0.559  1.0
  O  O30  1  0.989  0.660  0.496  1.0
[/CIF]
.
The structure described by MgV6(HO3)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(16), and one O(18) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), 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(10), one O(14), one O(2), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. In the third V site, V(3) is bonded to one O(1), one O(10), one O(15), one O(3), and one O(7) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. In the fourth V site, V(4) is bonded to one O(16), one O(2), one O(4), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(5), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. In the sixth V site, V(6) is bonded to one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing VO5 trigonal bipyramids. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(18) and one O(7) atom. In the second H site, H(2) is bonded in a linear geometry to one O(14) and one O(17) atom. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(17) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(15) 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 distorted single-bond geometry to one O(14) and one O(16) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) 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 3-coordinate geometry to one V(3), one V(6), and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(5) and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one H(2), and one H(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(4), and one H(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 distorted trigonal planar geometry to one Mg(1), one H(1), and one H(5) atom. is represented by the CIF card [CIF]
data_MgV6(HO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.614
_cell_length_b   8.970
_cell_length_c   7.823
_cell_angle_alpha   84.428
_cell_angle_beta   102.446
_cell_angle_gamma   92.073
_symmetry_Int_Tables_number   1
_cell_volume   382.831
_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  0.322  0.693  0.429  1.0
  V  V1  1  0.434  0.427  0.154  1.0
  V  V2  1  0.577  0.945  0.822  1.0
  V  V3  1  0.565  0.576  0.815  1.0
  V  V4  1  0.428  0.052  0.156  1.0
  V  V5  1  0.895  0.254  0.997  1.0
  V  V6  1  0.108  0.746  0.972  1.0
  H  H7  1  0.954  0.638  0.615  1.0
  H  H8  1  0.296  0.176  0.590  1.0
  H  H9  1  0.066  0.263  0.651  1.0
  H  H10  1  0.283  0.361  0.580  1.0
  H  H11  1  0.849  0.622  0.412  1.0
  H  H12  1  0.507  0.969  0.463  1.0
  O  O13  1  0.642  0.406  0.992  1.0
  O  O14  1  0.378  0.891  0.992  1.0
  O  O15  1  0.349  0.590  0.969  1.0
  O  O16  1  0.635  0.099  0.992  1.0
  O  O17  1  0.131  0.379  0.144  1.0
  O  O18  1  0.881  0.903  0.849  1.0
  O  O19  1  0.874  0.620  0.821  1.0
  O  O20  1  0.128  0.094  0.108  1.0
  O  O21  1  0.540  0.223  0.243  1.0
  O  O22  1  0.453  0.767  0.719  1.0
  O  O23  1  0.934  0.277  0.793  1.0
  O  O24  1  0.084  0.719  0.181  1.0
  O  O25  1  0.531  0.539  0.317  1.0
  O  O26  1  0.483  0.060  0.637  1.0
  O  O27  1  0.439  0.498  0.628  1.0
  O  O28  1  0.480  0.912  0.355  1.0
  O  O29  1  0.176  0.266  0.559  1.0
  O  O30  1  0.989  0.660  0.496  1.0
[/CIF]
.