The material structure described by ErMn2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. Er(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ErO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Er(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Er(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Er(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)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 Er(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Er(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Er(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_ErMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.445
_cell_length_b   6.445
_cell_length_c   6.245
_cell_angle_alpha   61.422
_cell_angle_beta   61.422
_cell_angle_gamma   57.404
_symmetry_Int_Tables_number   1
_cell_volume   183.185
_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
  Er  Er0  1  0.125  0.125  0.112  1.0
  Er  Er1  1  0.875  0.875  0.888  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.733  0.733  0.294  1.0
  O  O7  1  0.752  0.752  0.721  1.0
  O  O8  1  0.731  0.285  0.766  1.0
  O  O9  1  0.285  0.731  0.766  1.0
  O  O10  1  0.267  0.267  0.706  1.0
  O  O11  1  0.248  0.248  0.279  1.0
  O  O12  1  0.269  0.715  0.234  1.0
  O  O13  1  0.715  0.269  0.234  1.0
[/CIF]
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The material structure described by ErMn2O4 is Spinel structured and crystallizes in the monoclinic C2/m space group. Er(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ErO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Er(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Er(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Er(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)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 Er(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Er(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Er(1), one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_ErMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.445
_cell_length_b   6.445
_cell_length_c   6.245
_cell_angle_alpha   61.422
_cell_angle_beta   61.422
_cell_angle_gamma   57.404
_symmetry_Int_Tables_number   1
_cell_volume   183.185
_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
  Er  Er0  1  0.125  0.125  0.112  1.0
  Er  Er1  1  0.875  0.875  0.888  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.733  0.733  0.294  1.0
  O  O7  1  0.752  0.752  0.721  1.0
  O  O8  1  0.731  0.285  0.766  1.0
  O  O9  1  0.285  0.731  0.766  1.0
  O  O10  1  0.267  0.267  0.706  1.0
  O  O11  1  0.248  0.248  0.279  1.0
  O  O12  1  0.269  0.715  0.234  1.0
  O  O13  1  0.715  0.269  0.234  1.0
[/CIF]
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