The material described by YFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Y(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 Y(1), two equivalent Fe(1), and four equivalent Ni(1) atoms to form FeY6Fe2Ni4 cuboctahedra that share corners with eight equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, corners with ten equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, edges with six equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, faces with six equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, and faces with twelve equivalent Ni(1)Y6Fe4Ni2 cuboctahedra. Ni(1) is bonded to six equivalent Y(1), four equivalent Fe(1), and two equivalent Ni(1) atoms to form NiY6Fe4Ni2 cuboctahedra that share corners with eight equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, corners with ten equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, edges with six equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, faces with six equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, and faces with twelve equivalent Fe(1)Y6Fe2Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_YFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   5.155
_cell_length_c   5.155
_cell_angle_alpha   91.528
_cell_angle_beta   57.487
_cell_angle_gamma   119.286
_symmetry_Int_Tables_number   1
_cell_volume   95.396
_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
  Y  Y0  1  0.500  0.746  0.754  1.0
  Y  Y1  1  0.000  0.004  0.996  1.0
  Fe  Fe2  1  0.750  0.375  0.875  1.0
  Fe  Fe3  1  0.250  0.375  0.375  1.0
  Ni  Ni4  1  0.250  0.875  0.375  1.0
  Ni  Ni5  1  0.750  0.375  0.375  1.0
[/CIF]
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The material described by YFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. Y(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 Y(1), two equivalent Fe(1), and four equivalent Ni(1) atoms to form FeY6Fe2Ni4 cuboctahedra that share corners with eight equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, corners with ten equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, edges with six equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, faces with six equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, and faces with twelve equivalent Ni(1)Y6Fe4Ni2 cuboctahedra. Ni(1) is bonded to six equivalent Y(1), four equivalent Fe(1), and two equivalent Ni(1) atoms to form NiY6Fe4Ni2 cuboctahedra that share corners with eight equivalent Fe(1)Y6Fe2Ni4 cuboctahedra, corners with ten equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, edges with six equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, faces with six equivalent Ni(1)Y6Fe4Ni2 cuboctahedra, and faces with twelve equivalent Fe(1)Y6Fe2Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_YFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   5.155
_cell_length_c   5.155
_cell_angle_alpha   91.528
_cell_angle_beta   57.487
_cell_angle_gamma   119.286
_symmetry_Int_Tables_number   1
_cell_volume   95.396
_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
  Y  Y0  1  0.500  0.746  0.754  1.0
  Y  Y1  1  0.000  0.004  0.996  1.0
  Fe  Fe2  1  0.750  0.375  0.875  1.0
  Fe  Fe3  1  0.250  0.375  0.375  1.0
  Ni  Ni4  1  0.250  0.875  0.375  1.0
  Ni  Ni5  1  0.750  0.375  0.375  1.0
[/CIF]
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