The material structure described by FeMnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_MnFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.580
_cell_length_b   4.405
_cell_length_c   4.982
_cell_angle_alpha   89.211
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.430
_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
  Mn  Mn0  1  0.854  0.000  0.750  1.0
  Mn  Mn1  1  0.146  0.000  0.250  1.0
  Fe  Fe2  1  0.345  0.500  0.750  1.0
  Fe  Fe3  1  0.655  0.500  0.250  1.0
  O  O4  1  0.108  0.228  0.572  1.0
  O  O5  1  0.892  0.228  0.072  1.0
  O  O6  1  0.623  0.254  0.593  1.0
  O  O7  1  0.377  0.254  0.093  1.0
  O  O8  1  0.623  0.746  0.907  1.0
  O  O9  1  0.377  0.746  0.407  1.0
  O  O10  1  0.108  0.772  0.928  1.0
  O  O11  1  0.892  0.772  0.428  1.0
[/CIF]
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The material structure described by FeMnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_MnFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.580
_cell_length_b   4.405
_cell_length_c   4.982
_cell_angle_alpha   89.211
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.430
_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
  Mn  Mn0  1  0.854  0.000  0.750  1.0
  Mn  Mn1  1  0.146  0.000  0.250  1.0
  Fe  Fe2  1  0.345  0.500  0.750  1.0
  Fe  Fe3  1  0.655  0.500  0.250  1.0
  O  O4  1  0.108  0.228  0.572  1.0
  O  O5  1  0.892  0.228  0.072  1.0
  O  O6  1  0.623  0.254  0.593  1.0
  O  O7  1  0.377  0.254  0.093  1.0
  O  O8  1  0.623  0.746  0.907  1.0
  O  O9  1  0.377  0.746  0.407  1.0
  O  O10  1  0.108  0.772  0.928  1.0
  O  O11  1  0.892  0.772  0.428  1.0
[/CIF]
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