The crystal structure described by MgFe4NiO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.996
_cell_length_c   5.977
_cell_angle_alpha   60.596
_cell_angle_beta   60.596
_cell_angle_gamma   60.468
_symmetry_Int_Tables_number   1
_cell_volume   153.851
_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
  Fe  Fe1  1  0.883  0.883  0.868  1.0
  Fe  Fe2  1  0.117  0.117  0.132  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.747  0.747  0.740  1.0
  O  O7  1  0.749  0.749  0.268  1.0
  O  O8  1  0.271  0.750  0.740  1.0
  O  O9  1  0.750  0.271  0.740  1.0
  O  O10  1  0.253  0.253  0.260  1.0
  O  O11  1  0.251  0.251  0.732  1.0
  O  O12  1  0.729  0.250  0.260  1.0
  O  O13  1  0.250  0.729  0.260  1.0
[/CIF]
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The crystal structure described by MgFe4NiO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.996
_cell_length_b   5.996
_cell_length_c   5.977
_cell_angle_alpha   60.596
_cell_angle_beta   60.596
_cell_angle_gamma   60.468
_symmetry_Int_Tables_number   1
_cell_volume   153.851
_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
  Fe  Fe1  1  0.883  0.883  0.868  1.0
  Fe  Fe2  1  0.117  0.117  0.132  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.747  0.747  0.740  1.0
  O  O7  1  0.749  0.749  0.268  1.0
  O  O8  1  0.271  0.750  0.740  1.0
  O  O9  1  0.750  0.271  0.740  1.0
  O  O10  1  0.253  0.253  0.260  1.0
  O  O11  1  0.251  0.251  0.732  1.0
  O  O12  1  0.729  0.250  0.260  1.0
  O  O13  1  0.250  0.729  0.260  1.0
[/CIF]
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