The crystal structure described by MgV2(FeO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), one Fe(1), and one Fe(2) atom to form distorted OMgV2Fe2 trigonal bipyramids that share  a cornercorner with one O(3)MgVFe3 square pyramid,  a cornercorner with one O(4)MgVFe3 trigonal bipyramid, corners with four equivalent O(1)MgV2Fe2 trigonal bipyramids, corners with three equivalent O(2)V2Fe2 trigonal pyramids, edges with three equivalent O(3)MgVFe3 square pyramids, edges with three equivalent O(4)MgVFe3 trigonal bipyramids, and  an edgeedge with one O(2)V2Fe2 trigonal pyramid. In the second O site, O(2) is bonded to one V(1), one V(2), one Fe(1), and one Fe(3) atom to form OV2Fe2 trigonal pyramids that share corners with three equivalent O(3)MgVFe3 square pyramids, corners with three equivalent O(1)MgV2Fe2 trigonal bipyramids, corners with three equivalent O(4)MgVFe3 trigonal bipyramids, corners with three equivalent O(2)V2Fe2 trigonal pyramids,  an edgeedge with one O(3)MgVFe3 square pyramid,  an edgeedge with one O(1)MgV2Fe2 trigonal bipyramid, and  an edgeedge with one O(4)MgVFe3 trigonal bipyramid. In the third O site, O(3) is bonded to one Mg(1), one V(1), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OMgVFe3 square pyramids that share corners with four equivalent O(3)MgVFe3 square pyramids,  a cornercorner with one O(1)MgV2Fe2 trigonal bipyramid,  a cornercorner with one O(4)MgVFe3 trigonal bipyramid, corners with three equivalent O(2)V2Fe2 trigonal pyramids, edges with three equivalent O(1)MgV2Fe2 trigonal bipyramids, edges with three equivalent O(4)MgVFe3 trigonal bipyramids, and  an edgeedge with one O(2)V2Fe2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), one Fe(1), one Fe(2), and one Fe(3) atom to form OMgVFe3 trigonal bipyramids that share  a cornercorner with one O(3)MgVFe3 square pyramid,  a cornercorner with one O(1)MgV2Fe2 trigonal bipyramid, corners with four equivalent O(4)MgVFe3 trigonal bipyramids, corners with three equivalent O(2)V2Fe2 trigonal pyramids, edges with three equivalent O(3)MgVFe3 square pyramids, edges with three equivalent O(1)MgV2Fe2 trigonal bipyramids, and  an edgeedge with one O(2)V2Fe2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   6.222
_cell_length_c   6.031
_cell_angle_alpha   62.295
_cell_angle_beta   59.903
_cell_angle_gamma   66.130
_symmetry_Int_Tables_number   1
_cell_volume   166.667
_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  0.125  0.625  0.125  1.0
  V  V1  1  0.125  0.625  0.625  1.0
  V  V2  1  0.625  0.625  0.125  1.0
  Fe  Fe3  1  0.023  0.094  0.952  1.0
  Fe  Fe4  1  0.227  0.156  0.298  1.0
  Fe  Fe5  1  0.625  0.125  0.625  1.0
  Fe  Fe6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.350  0.403  0.369  1.0
  O  O8  1  0.420  0.815  0.384  1.0
  O  O9  1  0.333  0.397  0.873  1.0
  O  O10  1  0.855  0.389  0.373  1.0
  O  O11  1  0.395  0.861  0.877  1.0
  O  O12  1  0.830  0.435  0.866  1.0
  O  O13  1  0.917  0.853  0.377  1.0
  O  O14  1  0.900  0.847  0.881  1.0
[/CIF]
.
The crystal structure described by MgV2(FeO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), one Fe(1), and one Fe(2) atom to form distorted OMgV2Fe2 trigonal bipyramids that share  a cornercorner with one O(3)MgVFe3 square pyramid,  a cornercorner with one O(4)MgVFe3 trigonal bipyramid, corners with four equivalent O(1)MgV2Fe2 trigonal bipyramids, corners with three equivalent O(2)V2Fe2 trigonal pyramids, edges with three equivalent O(3)MgVFe3 square pyramids, edges with three equivalent O(4)MgVFe3 trigonal bipyramids, and  an edgeedge with one O(2)V2Fe2 trigonal pyramid. In the second O site, O(2) is bonded to one V(1), one V(2), one Fe(1), and one Fe(3) atom to form OV2Fe2 trigonal pyramids that share corners with three equivalent O(3)MgVFe3 square pyramids, corners with three equivalent O(1)MgV2Fe2 trigonal bipyramids, corners with three equivalent O(4)MgVFe3 trigonal bipyramids, corners with three equivalent O(2)V2Fe2 trigonal pyramids,  an edgeedge with one O(3)MgVFe3 square pyramid,  an edgeedge with one O(1)MgV2Fe2 trigonal bipyramid, and  an edgeedge with one O(4)MgVFe3 trigonal bipyramid. In the third O site, O(3) is bonded to one Mg(1), one V(1), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OMgVFe3 square pyramids that share corners with four equivalent O(3)MgVFe3 square pyramids,  a cornercorner with one O(1)MgV2Fe2 trigonal bipyramid,  a cornercorner with one O(4)MgVFe3 trigonal bipyramid, corners with three equivalent O(2)V2Fe2 trigonal pyramids, edges with three equivalent O(1)MgV2Fe2 trigonal bipyramids, edges with three equivalent O(4)MgVFe3 trigonal bipyramids, and  an edgeedge with one O(2)V2Fe2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), one Fe(1), one Fe(2), and one Fe(3) atom to form OMgVFe3 trigonal bipyramids that share  a cornercorner with one O(3)MgVFe3 square pyramid,  a cornercorner with one O(1)MgV2Fe2 trigonal bipyramid, corners with four equivalent O(4)MgVFe3 trigonal bipyramids, corners with three equivalent O(2)V2Fe2 trigonal pyramids, edges with three equivalent O(3)MgVFe3 square pyramids, edges with three equivalent O(1)MgV2Fe2 trigonal bipyramids, and  an edgeedge with one O(2)V2Fe2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   6.222
_cell_length_c   6.031
_cell_angle_alpha   62.295
_cell_angle_beta   59.903
_cell_angle_gamma   66.130
_symmetry_Int_Tables_number   1
_cell_volume   166.667
_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  0.125  0.625  0.125  1.0
  V  V1  1  0.125  0.625  0.625  1.0
  V  V2  1  0.625  0.625  0.125  1.0
  Fe  Fe3  1  0.023  0.094  0.952  1.0
  Fe  Fe4  1  0.227  0.156  0.298  1.0
  Fe  Fe5  1  0.625  0.125  0.625  1.0
  Fe  Fe6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.350  0.403  0.369  1.0
  O  O8  1  0.420  0.815  0.384  1.0
  O  O9  1  0.333  0.397  0.873  1.0
  O  O10  1  0.855  0.389  0.373  1.0
  O  O11  1  0.395  0.861  0.877  1.0
  O  O12  1  0.830  0.435  0.866  1.0
  O  O13  1  0.917  0.853  0.377  1.0
  O  O14  1  0.900  0.847  0.881  1.0
[/CIF]
.