The structure described by ErFeMnO4 crystallizes in the trigonal R3m space group. Er(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ErO6 octahedra that share corners with three equivalent Mn(1)O5 trigonal bipyramids, corners with three equivalent Fe(1)O5 trigonal bipyramids, and edges with six equivalent Er(1)O6 octahedra. Mn(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form MnO5 trigonal bipyramids that share corners with three equivalent Er(1)O6 octahedra, corners with six equivalent Mn(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Fe(1) is bonded to one O(1), one O(3), and three equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Er(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Er(1) and one Fe(1) atom to form OEr3Fe tetrahedra that share corners with three equivalent O(2)Er3Mn tetrahedra, corners with six equivalent O(1)Er3Fe tetrahedra,  a cornercorner with one O(3)Mn3Fe trigonal pyramid, corners with three equivalent O(4)MnFe3 trigonal pyramids, and edges with three equivalent O(2)Er3Mn tetrahedra. In the second O site, O(2) is bonded to three equivalent Er(1) and one Mn(1) atom to form distorted OEr3Mn tetrahedra that share corners with three equivalent O(1)Er3Fe tetrahedra, corners with six equivalent O(2)Er3Mn tetrahedra,  a cornercorner with one O(4)MnFe3 trigonal pyramid, corners with three equivalent O(3)Mn3Fe trigonal pyramids, and edges with three equivalent O(1)Er3Fe tetrahedra. In the third O site, O(3) is bonded to three equivalent Mn(1) and one Fe(1) atom to form OMn3Fe trigonal pyramids that share  a cornercorner with one O(1)Er3Fe tetrahedra, corners with three equivalent O(2)Er3Mn tetrahedra, corners with six equivalent O(3)Mn3Fe trigonal pyramids, and edges with three equivalent O(4)MnFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(1) and three equivalent Fe(1) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Er3Mn tetrahedra, corners with three equivalent O(1)Er3Fe tetrahedra, corners with six equivalent O(4)MnFe3 trigonal pyramids, and edges with three equivalent O(3)Mn3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_ErMnFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.332
_cell_length_c   8.332
_cell_angle_alpha   24.679
_cell_angle_beta   24.679
_cell_angle_gamma   24.679
_symmetry_Int_Tables_number   1
_cell_volume   88.676
_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
  Er  Er0  1  0.001  0.001  0.001  1.0
  Mn  Mn1  1  0.210  0.210  0.210  1.0
  Fe  Fe2  1  0.787  0.787  0.787  1.0
  O  O3  1  0.706  0.706  0.706  1.0
  O  O4  1  0.289  0.289  0.289  1.0
  O  O5  1  0.872  0.872  0.872  1.0
  O  O6  1  0.130  0.130  0.130  1.0
[/CIF]
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The structure described by ErFeMnO4 crystallizes in the trigonal R3m space group. Er(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ErO6 octahedra that share corners with three equivalent Mn(1)O5 trigonal bipyramids, corners with three equivalent Fe(1)O5 trigonal bipyramids, and edges with six equivalent Er(1)O6 octahedra. Mn(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form MnO5 trigonal bipyramids that share corners with three equivalent Er(1)O6 octahedra, corners with six equivalent Mn(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Fe(1) is bonded to one O(1), one O(3), and three equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Er(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Er(1) and one Fe(1) atom to form OEr3Fe tetrahedra that share corners with three equivalent O(2)Er3Mn tetrahedra, corners with six equivalent O(1)Er3Fe tetrahedra,  a cornercorner with one O(3)Mn3Fe trigonal pyramid, corners with three equivalent O(4)MnFe3 trigonal pyramids, and edges with three equivalent O(2)Er3Mn tetrahedra. In the second O site, O(2) is bonded to three equivalent Er(1) and one Mn(1) atom to form distorted OEr3Mn tetrahedra that share corners with three equivalent O(1)Er3Fe tetrahedra, corners with six equivalent O(2)Er3Mn tetrahedra,  a cornercorner with one O(4)MnFe3 trigonal pyramid, corners with three equivalent O(3)Mn3Fe trigonal pyramids, and edges with three equivalent O(1)Er3Fe tetrahedra. In the third O site, O(3) is bonded to three equivalent Mn(1) and one Fe(1) atom to form OMn3Fe trigonal pyramids that share  a cornercorner with one O(1)Er3Fe tetrahedra, corners with three equivalent O(2)Er3Mn tetrahedra, corners with six equivalent O(3)Mn3Fe trigonal pyramids, and edges with three equivalent O(4)MnFe3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mn(1) and three equivalent Fe(1) atoms to form distorted OMnFe3 trigonal pyramids that share  a cornercorner with one O(2)Er3Mn tetrahedra, corners with three equivalent O(1)Er3Fe tetrahedra, corners with six equivalent O(4)MnFe3 trigonal pyramids, and edges with three equivalent O(3)Mn3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_ErMnFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.332
_cell_length_c   8.332
_cell_angle_alpha   24.679
_cell_angle_beta   24.679
_cell_angle_gamma   24.679
_symmetry_Int_Tables_number   1
_cell_volume   88.676
_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
  Er  Er0  1  0.001  0.001  0.001  1.0
  Mn  Mn1  1  0.210  0.210  0.210  1.0
  Fe  Fe2  1  0.787  0.787  0.787  1.0
  O  O3  1  0.706  0.706  0.706  1.0
  O  O4  1  0.289  0.289  0.289  1.0
  O  O5  1  0.872  0.872  0.872  1.0
  O  O6  1  0.130  0.130  0.130  1.0
[/CIF]
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