The compound described by MgFe4O9 crystallizes in the tetragonal P4/n space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing FeO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFe4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.294
_cell_length_b   8.294
_cell_length_c   4.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.634
_cell_formula_units_Z   2
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  0.000  0.500  0.867  1.0
  Mg  Mg1  1  0.500  0.000  0.133  1.0
  Fe  Fe2  1  0.911  0.785  0.382  1.0
  Fe  Fe3  1  0.785  0.089  0.618  1.0
  Fe  Fe4  1  0.285  0.589  0.382  1.0
  Fe  Fe5  1  0.411  0.285  0.618  1.0
  Fe  Fe6  1  0.089  0.215  0.382  1.0
  Fe  Fe7  1  0.715  0.411  0.382  1.0
  Fe  Fe8  1  0.589  0.715  0.618  1.0
  Fe  Fe9  1  0.215  0.911  0.618  1.0
  O  O10  1  0.000  0.000  0.500  1.0
  O  O11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.268  0.932  0.972  1.0
  O  O13  1  0.568  0.768  0.972  1.0
  O  O14  1  0.432  0.232  0.972  1.0
  O  O15  1  0.732  0.068  0.972  1.0
  O  O16  1  0.232  0.568  0.028  1.0
  O  O17  1  0.932  0.732  0.028  1.0
  O  O18  1  0.068  0.268  0.028  1.0
  O  O19  1  0.768  0.432  0.028  1.0
  O  O20  1  0.896  0.294  0.541  1.0
  O  O21  1  0.206  0.396  0.541  1.0
  O  O22  1  0.794  0.604  0.541  1.0
  O  O23  1  0.104  0.706  0.541  1.0
  O  O24  1  0.396  0.794  0.459  1.0
  O  O25  1  0.294  0.104  0.459  1.0
  O  O26  1  0.706  0.896  0.459  1.0
  O  O27  1  0.604  0.206  0.459  1.0
[/CIF]
.
The compound described by MgFe4O9 crystallizes in the tetragonal P4/n space group. Mg(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(2), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing FeO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgFe4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.294
_cell_length_b   8.294
_cell_length_c   4.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   312.634
_cell_formula_units_Z   2
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  0.000  0.500  0.867  1.0
  Mg  Mg1  1  0.500  0.000  0.133  1.0
  Fe  Fe2  1  0.911  0.785  0.382  1.0
  Fe  Fe3  1  0.785  0.089  0.618  1.0
  Fe  Fe4  1  0.285  0.589  0.382  1.0
  Fe  Fe5  1  0.411  0.285  0.618  1.0
  Fe  Fe6  1  0.089  0.215  0.382  1.0
  Fe  Fe7  1  0.715  0.411  0.382  1.0
  Fe  Fe8  1  0.589  0.715  0.618  1.0
  Fe  Fe9  1  0.215  0.911  0.618  1.0
  O  O10  1  0.000  0.000  0.500  1.0
  O  O11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.268  0.932  0.972  1.0
  O  O13  1  0.568  0.768  0.972  1.0
  O  O14  1  0.432  0.232  0.972  1.0
  O  O15  1  0.732  0.068  0.972  1.0
  O  O16  1  0.232  0.568  0.028  1.0
  O  O17  1  0.932  0.732  0.028  1.0
  O  O18  1  0.068  0.268  0.028  1.0
  O  O19  1  0.768  0.432  0.028  1.0
  O  O20  1  0.896  0.294  0.541  1.0
  O  O21  1  0.206  0.396  0.541  1.0
  O  O22  1  0.794  0.604  0.541  1.0
  O  O23  1  0.104  0.706  0.541  1.0
  O  O24  1  0.396  0.794  0.459  1.0
  O  O25  1  0.294  0.104  0.459  1.0
  O  O26  1  0.706  0.896  0.459  1.0
  O  O27  1  0.604  0.206  0.459  1.0
[/CIF]
.