The crystal structure described by MgV2Fe2(H2O5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(6), one O(7), and one O(9) atom to form MgO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-69°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-53°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one O(4) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Fe(2), and one H(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Fe(1), one H(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mg(1), one Fe(1), one H(1), and one H(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one H(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mg(1), one Fe(2), one H(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_MgV2Fe2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   5.950
_cell_length_c   6.717
_cell_angle_alpha   103.042
_cell_angle_beta   93.137
_cell_angle_gamma   109.717
_symmetry_Int_Tables_number   1
_cell_volume   203.019
_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  0.181  0.178  0.055  1.0
  V  V1  1  0.241  0.617  0.730  1.0
  V  V2  1  0.753  0.391  0.238  1.0
  Fe  Fe3  1  0.609  0.228  0.697  1.0
  Fe  Fe4  1  0.403  0.788  0.286  1.0
  H  H5  1  0.055  0.122  0.697  1.0
  H  H6  1  0.931  0.863  0.286  1.0
  H  H7  1  0.887  0.854  0.736  1.0
  H  H8  1  0.171  0.121  0.406  1.0
  O  O9  1  0.697  0.681  0.317  1.0
  O  O10  1  0.538  0.261  0.995  1.0
  O  O11  1  0.388  0.744  0.983  1.0
  O  O12  1  0.276  0.331  0.629  1.0
  O  O13  1  0.366  0.838  0.588  1.0
  O  O14  1  0.934  0.038  0.788  1.0
  O  O15  1  0.097  0.457  0.215  1.0
  O  O16  1  0.917  0.567  0.725  1.0
  O  O17  1  0.116  0.984  0.272  1.0
  O  O18  1  0.639  0.150  0.378  1.0
[/CIF]
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The crystal structure described by MgV2Fe2(H2O5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(6), one O(7), and one O(9) atom to form MgO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-69°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-53°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form VO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one O(4) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one Fe(2), and one H(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Fe(1), one H(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mg(1), one Fe(1), one H(1), and one H(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(1), one V(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one H(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Mg(1), one Fe(2), one H(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), and one Fe(2) atom. is represented by the CIF card [CIF]
data_MgV2Fe2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.596
_cell_length_b   5.950
_cell_length_c   6.717
_cell_angle_alpha   103.042
_cell_angle_beta   93.137
_cell_angle_gamma   109.717
_symmetry_Int_Tables_number   1
_cell_volume   203.019
_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  0.181  0.178  0.055  1.0
  V  V1  1  0.241  0.617  0.730  1.0
  V  V2  1  0.753  0.391  0.238  1.0
  Fe  Fe3  1  0.609  0.228  0.697  1.0
  Fe  Fe4  1  0.403  0.788  0.286  1.0
  H  H5  1  0.055  0.122  0.697  1.0
  H  H6  1  0.931  0.863  0.286  1.0
  H  H7  1  0.887  0.854  0.736  1.0
  H  H8  1  0.171  0.121  0.406  1.0
  O  O9  1  0.697  0.681  0.317  1.0
  O  O10  1  0.538  0.261  0.995  1.0
  O  O11  1  0.388  0.744  0.983  1.0
  O  O12  1  0.276  0.331  0.629  1.0
  O  O13  1  0.366  0.838  0.588  1.0
  O  O14  1  0.934  0.038  0.788  1.0
  O  O15  1  0.097  0.457  0.215  1.0
  O  O16  1  0.917  0.567  0.725  1.0
  O  O17  1  0.116  0.984  0.272  1.0
  O  O18  1  0.639  0.150  0.378  1.0
[/CIF]
.