The crystal structure described by ErMnFe crystallizes in the orthorhombic Imma space group. Er(1) is bonded in a 16-coordinate geometry to four equivalent Er(1), six equivalent Mn(1), and six equivalent Fe(1) atoms. Mn(1) is bonded to six equivalent Er(1), two equivalent Mn(1), and four equivalent Fe(1) atoms to form MnEr6Mn2Fe4 cuboctahedra that share corners with eight equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, corners with ten equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, edges with six equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, faces with six equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Mn4Fe2 cuboctahedra. Fe(1) is bonded to six equivalent Er(1), four equivalent Mn(1), and two equivalent Fe(1) atoms to form FeEr6Mn4Fe2 cuboctahedra that share corners with eight equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, corners with ten equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, edges with six equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, faces with six equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, and faces with twelve equivalent Mn(1)Er6Mn2Fe4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.107
_cell_length_c   5.107
_cell_angle_alpha   120.308
_cell_angle_beta   119.713
_cell_angle_gamma   89.982
_symmetry_Int_Tables_number   1
_cell_volume   94.146
_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  0.126  0.876  0.250  1.0
  Er  Er1  1  0.874  0.124  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by ErMnFe crystallizes in the orthorhombic Imma space group. Er(1) is bonded in a 16-coordinate geometry to four equivalent Er(1), six equivalent Mn(1), and six equivalent Fe(1) atoms. Mn(1) is bonded to six equivalent Er(1), two equivalent Mn(1), and four equivalent Fe(1) atoms to form MnEr6Mn2Fe4 cuboctahedra that share corners with eight equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, corners with ten equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, edges with six equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, faces with six equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Mn4Fe2 cuboctahedra. Fe(1) is bonded to six equivalent Er(1), four equivalent Mn(1), and two equivalent Fe(1) atoms to form FeEr6Mn4Fe2 cuboctahedra that share corners with eight equivalent Mn(1)Er6Mn2Fe4 cuboctahedra, corners with ten equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, edges with six equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, faces with six equivalent Fe(1)Er6Mn4Fe2 cuboctahedra, and faces with twelve equivalent Mn(1)Er6Mn2Fe4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.107
_cell_length_b   5.107
_cell_length_c   5.107
_cell_angle_alpha   120.308
_cell_angle_beta   119.713
_cell_angle_gamma   89.982
_symmetry_Int_Tables_number   1
_cell_volume   94.146
_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  0.126  0.876  0.250  1.0
  Er  Er1  1  0.874  0.124  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
[/CIF]
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