The material structure described by U12FeNi crystallizes in the tetragonal I422 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a distorted T-shaped geometry to five equivalent U(1) and eight equivalent U(2) atoms. In the second U site, U(2) is bonded in a 4-coordinate geometry to one U(2), four equivalent U(1), one Fe(1), and one Ni(1) atom. Fe(1) is bonded in a distorted q6 geometry to eight equivalent U(2) and two equivalent Ni(1) atoms. Ni(1) is bonded in a distorted q6 geometry to eight equivalent U(2) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U12FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.198
_cell_length_b   7.654
_cell_length_c   7.654
_cell_angle_alpha   96.621
_cell_angle_beta   109.850
_cell_angle_gamma   70.150
_symmetry_Int_Tables_number   1
_cell_volume   269.396
_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
  U  U0  1  0.094  0.500  0.688  1.0
  U  U1  1  0.906  0.500  0.312  1.0
  U  U2  1  0.594  0.312  0.500  1.0
  U  U3  1  0.406  0.688  0.500  1.0
  U  U4  1  0.279  0.115  0.679  1.0
  U  U5  1  0.715  0.885  0.321  1.0
  U  U6  1  0.785  0.321  0.885  1.0
  U  U7  1  0.221  0.679  0.115  1.0
  U  U8  1  0.600  0.679  0.885  1.0
  U  U9  1  0.394  0.321  0.115  1.0
  U  U10  1  0.900  0.885  0.679  1.0
  U  U11  1  0.106  0.115  0.321  1.0
  Fe  Fe12  1  0.250  0.000  0.000  1.0
  Ni  Ni13  1  0.750  0.000  0.000  1.0
[/CIF]
.
The material structure described by U12FeNi crystallizes in the tetragonal I422 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a distorted T-shaped geometry to five equivalent U(1) and eight equivalent U(2) atoms. In the second U site, U(2) is bonded in a 4-coordinate geometry to one U(2), four equivalent U(1), one Fe(1), and one Ni(1) atom. Fe(1) is bonded in a distorted q6 geometry to eight equivalent U(2) and two equivalent Ni(1) atoms. Ni(1) is bonded in a distorted q6 geometry to eight equivalent U(2) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U12FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.198
_cell_length_b   7.654
_cell_length_c   7.654
_cell_angle_alpha   96.621
_cell_angle_beta   109.850
_cell_angle_gamma   70.150
_symmetry_Int_Tables_number   1
_cell_volume   269.396
_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
  U  U0  1  0.094  0.500  0.688  1.0
  U  U1  1  0.906  0.500  0.312  1.0
  U  U2  1  0.594  0.312  0.500  1.0
  U  U3  1  0.406  0.688  0.500  1.0
  U  U4  1  0.279  0.115  0.679  1.0
  U  U5  1  0.715  0.885  0.321  1.0
  U  U6  1  0.785  0.321  0.885  1.0
  U  U7  1  0.221  0.679  0.115  1.0
  U  U8  1  0.600  0.679  0.885  1.0
  U  U9  1  0.394  0.321  0.115  1.0
  U  U10  1  0.900  0.885  0.679  1.0
  U  U11  1  0.106  0.115  0.321  1.0
  Fe  Fe12  1  0.250  0.000  0.000  1.0
  Ni  Ni13  1  0.750  0.000  0.000  1.0
[/CIF]
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