The crystal structure described by Mg2FeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-61°. In the second Mg site, Mg(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-61°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with six equivalent Mg(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted OMg3Fe2 trigonal bipyramids that share corners with two equivalent O(1)Mg3Fe2 trigonal bipyramids, corners with three equivalent O(3)Mg2Fe2 trigonal pyramids, corners with four equivalent O(2)Mg3Fe trigonal pyramids,  an edgeedge with one O(1)Mg3Fe2 trigonal bipyramid, edges with four equivalent O(4)Mg4Fe trigonal bipyramids,  an edgeedge with one O(2)Mg3Fe trigonal pyramid, and edges with two equivalent O(3)Mg2Fe2 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(1), and one Fe(1) atom to form OMg3Fe trigonal pyramids that share corners with three equivalent O(4)Mg4Fe trigonal bipyramids, corners with four equivalent O(1)Mg3Fe2 trigonal bipyramids, corners with three equivalent O(3)Mg2Fe2 trigonal pyramids,  an edgeedge with one O(1)Mg3Fe2 trigonal bipyramid, edges with two equivalent O(4)Mg4Fe trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 trigonal pyramid, and  an edgeedge with one O(2)Mg3Fe trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Fe(1) atoms to form OMg2Fe2 trigonal pyramids that share corners with three equivalent O(1)Mg3Fe2 trigonal bipyramids, corners with four equivalent O(4)Mg4Fe trigonal bipyramids, corners with three equivalent O(2)Mg3Fe trigonal pyramids,  an edgeedge with one O(4)Mg4Fe trigonal bipyramid, edges with two equivalent O(1)Mg3Fe2 trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 trigonal pyramid, and  an edgeedge with one O(2)Mg3Fe trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one Fe(1) atom to form distorted OMg4Fe trigonal bipyramids that share corners with two equivalent O(4)Mg4Fe trigonal bipyramids, corners with three equivalent O(2)Mg3Fe trigonal pyramids, corners with four equivalent O(3)Mg2Fe2 trigonal pyramids,  an edgeedge with one O(4)Mg4Fe trigonal bipyramid, edges with four equivalent O(1)Mg3Fe2 trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 trigonal pyramid, and edges with two equivalent O(2)Mg3Fe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   5.163
_cell_length_c   11.027
_cell_angle_alpha   62.141
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.894
_cell_formula_units_Z   4
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  0.130  0.708  0.039  1.0
  Mg  Mg1  1  0.630  0.292  0.461  1.0
  Mg  Mg2  1  0.615  0.996  0.746  1.0
  Mg  Mg3  1  0.115  0.004  0.754  1.0
  Mg  Mg4  1  0.885  0.996  0.246  1.0
  Mg  Mg5  1  0.385  0.004  0.254  1.0
  Mg  Mg6  1  0.370  0.708  0.539  1.0
  Mg  Mg7  1  0.870  0.292  0.961  1.0
  Fe  Fe8  1  0.631  0.729  0.028  1.0
  Fe  Fe9  1  0.131  0.271  0.472  1.0
  Fe  Fe10  1  0.869  0.729  0.528  1.0
  Fe  Fe11  1  0.369  0.271  0.972  1.0
  O  O12  1  0.879  0.294  0.608  1.0
  O  O13  1  0.138  0.181  0.885  1.0
  O  O14  1  0.398  0.816  0.120  1.0
  O  O15  1  0.359  0.265  0.608  1.0
  O  O16  1  0.898  0.184  0.380  1.0
  O  O17  1  0.859  0.735  0.892  1.0
  O  O18  1  0.621  0.294  0.108  1.0
  O  O19  1  0.362  0.181  0.385  1.0
  O  O20  1  0.638  0.819  0.615  1.0
  O  O21  1  0.379  0.706  0.892  1.0
  O  O22  1  0.141  0.265  0.108  1.0
  O  O23  1  0.102  0.816  0.620  1.0
  O  O24  1  0.641  0.735  0.392  1.0
  O  O25  1  0.602  0.184  0.880  1.0
  O  O26  1  0.862  0.819  0.115  1.0
  O  O27  1  0.121  0.706  0.392  1.0
[/CIF]
.
The crystal structure described by Mg2FeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-61°. In the second Mg site, Mg(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-61°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with six equivalent Mg(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted OMg3Fe2 trigonal bipyramids that share corners with two equivalent O(1)Mg3Fe2 trigonal bipyramids, corners with three equivalent O(3)Mg2Fe2 trigonal pyramids, corners with four equivalent O(2)Mg3Fe trigonal pyramids,  an edgeedge with one O(1)Mg3Fe2 trigonal bipyramid, edges with four equivalent O(4)Mg4Fe trigonal bipyramids,  an edgeedge with one O(2)Mg3Fe trigonal pyramid, and edges with two equivalent O(3)Mg2Fe2 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(1), and one Fe(1) atom to form OMg3Fe trigonal pyramids that share corners with three equivalent O(4)Mg4Fe trigonal bipyramids, corners with four equivalent O(1)Mg3Fe2 trigonal bipyramids, corners with three equivalent O(3)Mg2Fe2 trigonal pyramids,  an edgeedge with one O(1)Mg3Fe2 trigonal bipyramid, edges with two equivalent O(4)Mg4Fe trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 trigonal pyramid, and  an edgeedge with one O(2)Mg3Fe trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and two equivalent Fe(1) atoms to form OMg2Fe2 trigonal pyramids that share corners with three equivalent O(1)Mg3Fe2 trigonal bipyramids, corners with four equivalent O(4)Mg4Fe trigonal bipyramids, corners with three equivalent O(2)Mg3Fe trigonal pyramids,  an edgeedge with one O(4)Mg4Fe trigonal bipyramid, edges with two equivalent O(1)Mg3Fe2 trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 trigonal pyramid, and  an edgeedge with one O(2)Mg3Fe trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one Fe(1) atom to form distorted OMg4Fe trigonal bipyramids that share corners with two equivalent O(4)Mg4Fe trigonal bipyramids, corners with three equivalent O(2)Mg3Fe trigonal pyramids, corners with four equivalent O(3)Mg2Fe2 trigonal pyramids,  an edgeedge with one O(4)Mg4Fe trigonal bipyramid, edges with four equivalent O(1)Mg3Fe2 trigonal bipyramids,  an edgeedge with one O(3)Mg2Fe2 trigonal pyramid, and edges with two equivalent O(2)Mg3Fe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   5.163
_cell_length_c   11.027
_cell_angle_alpha   62.141
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.894
_cell_formula_units_Z   4
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  0.130  0.708  0.039  1.0
  Mg  Mg1  1  0.630  0.292  0.461  1.0
  Mg  Mg2  1  0.615  0.996  0.746  1.0
  Mg  Mg3  1  0.115  0.004  0.754  1.0
  Mg  Mg4  1  0.885  0.996  0.246  1.0
  Mg  Mg5  1  0.385  0.004  0.254  1.0
  Mg  Mg6  1  0.370  0.708  0.539  1.0
  Mg  Mg7  1  0.870  0.292  0.961  1.0
  Fe  Fe8  1  0.631  0.729  0.028  1.0
  Fe  Fe9  1  0.131  0.271  0.472  1.0
  Fe  Fe10  1  0.869  0.729  0.528  1.0
  Fe  Fe11  1  0.369  0.271  0.972  1.0
  O  O12  1  0.879  0.294  0.608  1.0
  O  O13  1  0.138  0.181  0.885  1.0
  O  O14  1  0.398  0.816  0.120  1.0
  O  O15  1  0.359  0.265  0.608  1.0
  O  O16  1  0.898  0.184  0.380  1.0
  O  O17  1  0.859  0.735  0.892  1.0
  O  O18  1  0.621  0.294  0.108  1.0
  O  O19  1  0.362  0.181  0.385  1.0
  O  O20  1  0.638  0.819  0.615  1.0
  O  O21  1  0.379  0.706  0.892  1.0
  O  O22  1  0.141  0.265  0.108  1.0
  O  O23  1  0.102  0.816  0.620  1.0
  O  O24  1  0.641  0.735  0.392  1.0
  O  O25  1  0.602  0.184  0.880  1.0
  O  O26  1  0.862  0.819  0.115  1.0
  O  O27  1  0.121  0.706  0.392  1.0
[/CIF]
.