The crystal structure described by Lu12Fe3In2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent In(1) atoms. In the second Lu site, Lu(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and two equivalent In(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), four equivalent Lu(2), and one Fe(1) atom. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to eight equivalent Lu(2) atoms. In(1) is bonded to four equivalent Lu(1) and eight equivalent Lu(2) atoms to form a mixture of distorted face and corner-sharing InLu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu12In2Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.157
_cell_length_b   8.157
_cell_length_c   8.158
_cell_angle_alpha   108.899
_cell_angle_beta   108.899
_cell_angle_gamma   110.621
_symmetry_Int_Tables_number   1
_cell_volume   417.755
_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
  Lu  Lu0  1  0.310  0.310  0.619  1.0
  Lu  Lu1  1  0.690  0.690  0.381  1.0
  Lu  Lu2  1  0.690  0.310  0.000  1.0
  Lu  Lu3  1  0.310  0.690  0.000  1.0
  Lu  Lu4  1  0.189  0.428  0.239  1.0
  Lu  Lu5  1  0.811  0.572  0.761  1.0
  Lu  Lu6  1  0.189  0.950  0.761  1.0
  Lu  Lu7  1  0.950  0.189  0.761  1.0
  Lu  Lu8  1  0.811  0.050  0.239  1.0
  Lu  Lu9  1  0.050  0.811  0.239  1.0
  Lu  Lu10  1  0.428  0.189  0.239  1.0
  Lu  Lu11  1  0.572  0.811  0.761  1.0
  In  In12  1  1.000  0.500  0.500  1.0
  In  In13  1  0.500  0.000  0.500  1.0
  Fe  Fe14  1  0.377  0.377  0.000  1.0
  Fe  Fe15  1  0.623  0.623  0.000  1.0
  Fe  Fe16  1  1.000  1.000  1.000  1.0
[/CIF]
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The crystal structure described by Lu12Fe3In2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent In(1) atoms. In the second Lu site, Lu(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and two equivalent In(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), four equivalent Lu(2), and one Fe(1) atom. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to eight equivalent Lu(2) atoms. In(1) is bonded to four equivalent Lu(1) and eight equivalent Lu(2) atoms to form a mixture of distorted face and corner-sharing InLu12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu12In2Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.157
_cell_length_b   8.157
_cell_length_c   8.158
_cell_angle_alpha   108.899
_cell_angle_beta   108.899
_cell_angle_gamma   110.621
_symmetry_Int_Tables_number   1
_cell_volume   417.755
_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
  Lu  Lu0  1  0.310  0.310  0.619  1.0
  Lu  Lu1  1  0.690  0.690  0.381  1.0
  Lu  Lu2  1  0.690  0.310  0.000  1.0
  Lu  Lu3  1  0.310  0.690  0.000  1.0
  Lu  Lu4  1  0.189  0.428  0.239  1.0
  Lu  Lu5  1  0.811  0.572  0.761  1.0
  Lu  Lu6  1  0.189  0.950  0.761  1.0
  Lu  Lu7  1  0.950  0.189  0.761  1.0
  Lu  Lu8  1  0.811  0.050  0.239  1.0
  Lu  Lu9  1  0.050  0.811  0.239  1.0
  Lu  Lu10  1  0.428  0.189  0.239  1.0
  Lu  Lu11  1  0.572  0.811  0.761  1.0
  In  In12  1  1.000  0.500  0.500  1.0
  In  In13  1  0.500  0.000  0.500  1.0
  Fe  Fe14  1  0.377  0.377  0.000  1.0
  Fe  Fe15  1  0.623  0.623  0.000  1.0
  Fe  Fe16  1  1.000  1.000  1.000  1.0
[/CIF]
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