The crystal structure described by ErFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Er(1) is bonded in a 12-coordinate geometry to six equivalent Fe(1) and six equivalent Ni(1) atoms. Fe(1) is bonded to six equivalent Er(1), two equivalent Fe(1), and four equivalent Ni(1) atoms to form FeEr6Fe2Ni4 cuboctahedra that share corners with eight equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, corners with ten equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, edges with six equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, faces with six equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, and faces with twelve equivalent Ni(1)Er6Fe4Ni2 cuboctahedra. Ni(1) is bonded to six equivalent Er(1), four equivalent Fe(1), and two equivalent Ni(1) atoms to form NiEr6Fe4Ni2 cuboctahedra that share corners with eight equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, corners with ten equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, edges with six equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, faces with six equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Fe2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_ErFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.101
_cell_length_c   5.101
_cell_angle_alpha   122.742
_cell_angle_beta   119.117
_cell_angle_gamma   88.427
_symmetry_Int_Tables_number   1
_cell_volume   92.392
_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  0.128  0.878  0.250  1.0
  Er  Er1  1  0.872  0.122  0.750  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by ErFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Er(1) is bonded in a 12-coordinate geometry to six equivalent Fe(1) and six equivalent Ni(1) atoms. Fe(1) is bonded to six equivalent Er(1), two equivalent Fe(1), and four equivalent Ni(1) atoms to form FeEr6Fe2Ni4 cuboctahedra that share corners with eight equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, corners with ten equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, edges with six equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, faces with six equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, and faces with twelve equivalent Ni(1)Er6Fe4Ni2 cuboctahedra. Ni(1) is bonded to six equivalent Er(1), four equivalent Fe(1), and two equivalent Ni(1) atoms to form NiEr6Fe4Ni2 cuboctahedra that share corners with eight equivalent Fe(1)Er6Fe2Ni4 cuboctahedra, corners with ten equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, edges with six equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, faces with six equivalent Ni(1)Er6Fe4Ni2 cuboctahedra, and faces with twelve equivalent Fe(1)Er6Fe2Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_ErFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.101
_cell_length_c   5.101
_cell_angle_alpha   122.742
_cell_angle_beta   119.117
_cell_angle_gamma   88.427
_symmetry_Int_Tables_number   1
_cell_volume   92.392
_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  0.128  0.878  0.250  1.0
  Er  Er1  1  0.872  0.122  0.750  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
[/CIF]
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