The material described by FeMnO4 crystallizes in the orthorhombic Imma space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.797
_cell_length_b   5.797
_cell_length_c   5.797
_cell_angle_alpha   120.304
_cell_angle_beta   118.902
_cell_angle_gamma   90.693
_symmetry_Int_Tables_number   1
_cell_volume   138.558
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.121  0.871  0.250  1.0
  Fe  Fe3  1  0.879  0.129  0.750  1.0
  O  O4  1  0.771  0.267  0.504  1.0
  O  O5  1  0.262  0.267  0.996  1.0
  O  O6  1  0.750  0.278  0.028  1.0
  O  O7  1  0.750  0.723  0.472  1.0
  O  O8  1  0.229  0.733  0.496  1.0
  O  O9  1  0.738  0.733  0.004  1.0
  O  O10  1  0.250  0.722  0.972  1.0
  O  O11  1  0.250  0.277  0.528  1.0
[/CIF]
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The material described by FeMnO4 crystallizes in the orthorhombic Imma space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.797
_cell_length_b   5.797
_cell_length_c   5.797
_cell_angle_alpha   120.304
_cell_angle_beta   118.902
_cell_angle_gamma   90.693
_symmetry_Int_Tables_number   1
_cell_volume   138.558
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.121  0.871  0.250  1.0
  Fe  Fe3  1  0.879  0.129  0.750  1.0
  O  O4  1  0.771  0.267  0.504  1.0
  O  O5  1  0.262  0.267  0.996  1.0
  O  O6  1  0.750  0.278  0.028  1.0
  O  O7  1  0.750  0.723  0.472  1.0
  O  O8  1  0.229  0.733  0.496  1.0
  O  O9  1  0.738  0.733  0.004  1.0
  O  O10  1  0.250  0.722  0.972  1.0
  O  O11  1  0.250  0.277  0.528  1.0
[/CIF]
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