The material described by Mg3Fe2O5 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with six equivalent Mg(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Mg site, Mg(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Fe(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with six equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(2)Mg3Fe3 octahedra, corners with two equivalent O(1)Mg4Fe2 octahedra, corners with two equivalent O(3)Mg4Fe2 octahedra, edges with six equivalent O(2)Mg3Fe3 octahedra, and edges with six equivalent O(3)Mg4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share  a cornercorner with one O(1)Mg4Fe2 octahedra, corners with two equivalent O(3)Mg4Fe2 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(1)Mg4Fe2 octahedra, and edges with six equivalent O(3)Mg4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Mg(1), three equivalent Mg(2), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share  a cornercorner with one O(1)Mg4Fe2 octahedra, corners with two equivalent O(2)Mg3Fe3 octahedra, corners with three equivalent O(3)Mg4Fe2 octahedra, edges with three equivalent O(1)Mg4Fe2 octahedra, edges with three equivalent O(3)Mg4Fe2 octahedra, and edges with six equivalent O(2)Mg3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF card [CIF]
data_Mg3Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.215
_cell_length_b   5.108
_cell_length_c   5.139
_cell_angle_alpha   81.395
_cell_angle_beta   67.024
_cell_angle_gamma   68.155
_symmetry_Int_Tables_number   1
_cell_volume   94.562
_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
  Fe  Fe0  1  0.781  0.575  0.783  1.0
  Fe  Fe1  1  0.616  0.224  0.618  1.0
  Mg  Mg2  1  0.199  0.400  0.200  1.0
  Mg  Mg3  1  0.995  0.999  0.003  1.0
  Mg  Mg4  1  0.403  0.801  0.397  1.0
  O  O5  1  0.698  0.400  0.201  1.0
  O  O6  1  0.265  0.615  0.808  1.0
  O  O7  1  0.132  0.185  0.594  1.0
  O  O8  1  0.488  0.007  0.007  1.0
  O  O9  1  0.908  0.793  0.395  1.0
[/CIF]
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The material described by Mg3Fe2O5 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with six equivalent Mg(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Mg site, Mg(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Fe(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with six equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share corners with two equivalent O(2)Mg3Fe3 octahedra, corners with two equivalent O(1)Mg4Fe2 octahedra, corners with two equivalent O(3)Mg4Fe2 octahedra, edges with six equivalent O(2)Mg3Fe3 octahedra, and edges with six equivalent O(3)Mg4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(2), and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share  a cornercorner with one O(1)Mg4Fe2 octahedra, corners with two equivalent O(3)Mg4Fe2 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(1)Mg4Fe2 octahedra, and edges with six equivalent O(3)Mg4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Mg(1), three equivalent Mg(2), and two equivalent Fe(1) atoms to form OMg4Fe2 octahedra that share  a cornercorner with one O(1)Mg4Fe2 octahedra, corners with two equivalent O(2)Mg3Fe3 octahedra, corners with three equivalent O(3)Mg4Fe2 octahedra, edges with three equivalent O(1)Mg4Fe2 octahedra, edges with three equivalent O(3)Mg4Fe2 octahedra, and edges with six equivalent O(2)Mg3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF card [CIF]
data_Mg3Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.215
_cell_length_b   5.108
_cell_length_c   5.139
_cell_angle_alpha   81.395
_cell_angle_beta   67.024
_cell_angle_gamma   68.155
_symmetry_Int_Tables_number   1
_cell_volume   94.562
_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
  Fe  Fe0  1  0.781  0.575  0.783  1.0
  Fe  Fe1  1  0.616  0.224  0.618  1.0
  Mg  Mg2  1  0.199  0.400  0.200  1.0
  Mg  Mg3  1  0.995  0.999  0.003  1.0
  Mg  Mg4  1  0.403  0.801  0.397  1.0
  O  O5  1  0.698  0.400  0.201  1.0
  O  O6  1  0.265  0.615  0.808  1.0
  O  O7  1  0.132  0.185  0.594  1.0
  O  O8  1  0.488  0.007  0.007  1.0
  O  O9  1  0.908  0.793  0.395  1.0
[/CIF]
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