The material structure described by MgCr2(FeO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form edge-sharing FeO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_MgCr2(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   5.231
_cell_length_c   6.126
_cell_angle_alpha   95.066
_cell_angle_beta   95.093
_cell_angle_gamma   64.900
_symmetry_Int_Tables_number   1
_cell_volume   151.028
_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  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.333  0.332  0.317  1.0
  Cr  Cr2  1  0.667  0.668  0.683  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.236  0.718  0.249  1.0
  O  O6  1  0.281  0.764  0.751  1.0
  O  O7  1  0.223  0.223  0.064  1.0
  O  O8  1  0.225  0.225  0.534  1.0
  O  O9  1  0.775  0.775  0.466  1.0
  O  O10  1  0.777  0.777  0.936  1.0
  O  O11  1  0.719  0.236  0.249  1.0
  O  O12  1  0.764  0.282  0.751  1.0
[/CIF]
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The material structure described by MgCr2(FeO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Cr(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form edge-sharing FeO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_MgCr2(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   5.231
_cell_length_c   6.126
_cell_angle_alpha   95.066
_cell_angle_beta   95.093
_cell_angle_gamma   64.900
_symmetry_Int_Tables_number   1
_cell_volume   151.028
_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  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.333  0.332  0.317  1.0
  Cr  Cr2  1  0.667  0.668  0.683  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.236  0.718  0.249  1.0
  O  O6  1  0.281  0.764  0.751  1.0
  O  O7  1  0.223  0.223  0.064  1.0
  O  O8  1  0.225  0.225  0.534  1.0
  O  O9  1  0.775  0.775  0.466  1.0
  O  O10  1  0.777  0.777  0.936  1.0
  O  O11  1  0.719  0.236  0.249  1.0
  O  O12  1  0.764  0.282  0.751  1.0
[/CIF]
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