The crystal structure described by MgV2(FeO2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(4), one O(6), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(5) atoms. In the second V site, V(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(5) atoms to form distorted VO5 square pyramids that share corners with two equivalent Fe(1)O4 tetrahedra and corners with three equivalent Fe(2)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form FeO4 tetrahedra that share corners with two equivalent V(2)O5 square pyramids. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent V(2)O5 square pyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one Fe(2), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMgFe3 tetrahedra that share  a cornercorner with one O(6)MgFe3 tetrahedra, corners with four equivalent O(5)MgV2Fe tetrahedra, and  a faceface with one O(6)MgFe3 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(2), and one Fe(1) atom to form distorted OMgV2Fe tetrahedra that share  a cornercorner with one O(5)MgV2Fe tetrahedra, corners with two equivalent O(4)MgFe3 tetrahedra, corners with two equivalent O(6)MgFe3 tetrahedra, and  a faceface with one O(5)MgV2Fe tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMgFe3 tetrahedra that share  a cornercorner with one O(4)MgFe3 tetrahedra, corners with four equivalent O(5)MgV2Fe tetrahedra, and  a faceface with one O(4)MgFe3 tetrahedra. is represented by the CIF card [CIF]
data_MgV2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.809
_cell_length_b   6.021
_cell_length_c   6.795
_cell_angle_alpha   63.702
_cell_angle_beta   52.025
_cell_angle_gamma   63.759
_symmetry_Int_Tables_number   1
_cell_volume   191.099
_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  0.754  0.751  0.744  1.0
  V  V1  1  0.191  0.583  0.643  1.0
  V  V2  1  0.643  0.585  0.187  1.0
  Fe  Fe3  1  0.003  0.999  0.999  1.0
  Fe  Fe4  1  0.242  0.255  0.247  1.0
  Fe  Fe5  1  0.585  0.172  0.588  1.0
  Fe  Fe6  1  0.585  0.655  0.588  1.0
  O  O7  1  0.370  0.376  0.373  1.0
  O  O8  1  0.370  0.881  0.373  1.0
  O  O9  1  0.370  0.380  0.871  1.0
  O  O10  1  0.866  0.380  0.374  1.0
  O  O11  1  0.395  0.877  0.851  1.0
  O  O12  1  0.890  0.397  0.886  1.0
  O  O13  1  0.847  0.882  0.389  1.0
  O  O14  1  0.890  0.827  0.886  1.0
[/CIF]
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The crystal structure described by MgV2(FeO2)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(4), one O(6), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(5) atoms. In the second V site, V(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(5) atoms to form distorted VO5 square pyramids that share corners with two equivalent Fe(1)O4 tetrahedra and corners with three equivalent Fe(2)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form FeO4 tetrahedra that share corners with two equivalent V(2)O5 square pyramids. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent V(2)O5 square pyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(1), one V(2), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one Fe(2), and two equivalent Fe(3) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMgFe3 tetrahedra that share  a cornercorner with one O(6)MgFe3 tetrahedra, corners with four equivalent O(5)MgV2Fe tetrahedra, and  a faceface with one O(6)MgFe3 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(2), and one Fe(1) atom to form distorted OMgV2Fe tetrahedra that share  a cornercorner with one O(5)MgV2Fe tetrahedra, corners with two equivalent O(4)MgFe3 tetrahedra, corners with two equivalent O(6)MgFe3 tetrahedra, and  a faceface with one O(5)MgV2Fe tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms to form distorted OMgFe3 tetrahedra that share  a cornercorner with one O(4)MgFe3 tetrahedra, corners with four equivalent O(5)MgV2Fe tetrahedra, and  a faceface with one O(4)MgFe3 tetrahedra. is represented by the CIF card [CIF]
data_MgV2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.809
_cell_length_b   6.021
_cell_length_c   6.795
_cell_angle_alpha   63.702
_cell_angle_beta   52.025
_cell_angle_gamma   63.759
_symmetry_Int_Tables_number   1
_cell_volume   191.099
_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  0.754  0.751  0.744  1.0
  V  V1  1  0.191  0.583  0.643  1.0
  V  V2  1  0.643  0.585  0.187  1.0
  Fe  Fe3  1  0.003  0.999  0.999  1.0
  Fe  Fe4  1  0.242  0.255  0.247  1.0
  Fe  Fe5  1  0.585  0.172  0.588  1.0
  Fe  Fe6  1  0.585  0.655  0.588  1.0
  O  O7  1  0.370  0.376  0.373  1.0
  O  O8  1  0.370  0.881  0.373  1.0
  O  O9  1  0.370  0.380  0.871  1.0
  O  O10  1  0.866  0.380  0.374  1.0
  O  O11  1  0.395  0.877  0.851  1.0
  O  O12  1  0.890  0.397  0.886  1.0
  O  O13  1  0.847  0.882  0.389  1.0
  O  O14  1  0.890  0.827  0.886  1.0
[/CIF]
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