The compound described by Lu8CoIn3 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 3-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the second Lu site, Lu(2) is bonded in a 4-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the third Lu site, Lu(3) is bonded to one Co(1) and three equivalent In(1) atoms to form distorted corner-sharing LuIn3Co tetrahedra. The corner-sharing octahedral tilt angles range from 14-47°. In the fourth Lu site, Lu(4) is bonded to six equivalent In(1) atoms to form distorted LuIn6 octahedra that share corners with six equivalent Lu(3)In3Co tetrahedra and faces with two equivalent Lu(4)In6 octahedra. Co(1) is bonded in a 7-coordinate geometry to one Lu(3), three equivalent Lu(1), and three equivalent Lu(2) atoms. In(1) is bonded in a 11-coordinate geometry to one Lu(3), two equivalent Lu(4), four equivalent Lu(1), and four equivalent Lu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu8In3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.150
_cell_length_b   10.150
_cell_length_c   6.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   611.138
_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
  Lu  Lu0  1  0.533  0.067  0.523  1.0
  Lu  Lu1  1  0.933  0.467  0.523  1.0
  Lu  Lu2  1  0.533  0.467  0.523  1.0
  Lu  Lu3  1  0.467  0.933  0.023  1.0
  Lu  Lu4  1  0.067  0.533  0.023  1.0
  Lu  Lu5  1  0.467  0.533  0.023  1.0
  Lu  Lu6  1  0.179  0.358  0.731  1.0
  Lu  Lu7  1  0.642  0.821  0.731  1.0
  Lu  Lu8  1  0.179  0.821  0.731  1.0
  Lu  Lu9  1  0.821  0.642  0.231  1.0
  Lu  Lu10  1  0.358  0.179  0.231  1.0
  Lu  Lu11  1  0.821  0.179  0.231  1.0
  Lu  Lu12  1  0.667  0.333  0.909  1.0
  Lu  Lu13  1  0.333  0.667  0.409  1.0
  Lu  Lu14  1  0.000  0.000  0.505  1.0
  Lu  Lu15  1  0.000  0.000  0.005  1.0
  In  In16  1  0.836  0.673  0.769  1.0
  In  In17  1  0.327  0.164  0.769  1.0
  In  In18  1  0.836  0.164  0.769  1.0
  In  In19  1  0.164  0.327  0.269  1.0
  In  In20  1  0.673  0.836  0.269  1.0
  In  In21  1  0.164  0.836  0.269  1.0
  Co  Co22  1  0.667  0.333  0.295  1.0
  Co  Co23  1  0.333  0.667  0.795  1.0
[/CIF]
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The compound described by Lu8CoIn3 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 3-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the second Lu site, Lu(2) is bonded in a 4-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the third Lu site, Lu(3) is bonded to one Co(1) and three equivalent In(1) atoms to form distorted corner-sharing LuIn3Co tetrahedra. The corner-sharing octahedral tilt angles range from 14-47°. In the fourth Lu site, Lu(4) is bonded to six equivalent In(1) atoms to form distorted LuIn6 octahedra that share corners with six equivalent Lu(3)In3Co tetrahedra and faces with two equivalent Lu(4)In6 octahedra. Co(1) is bonded in a 7-coordinate geometry to one Lu(3), three equivalent Lu(1), and three equivalent Lu(2) atoms. In(1) is bonded in a 11-coordinate geometry to one Lu(3), two equivalent Lu(4), four equivalent Lu(1), and four equivalent Lu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu8In3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.150
_cell_length_b   10.150
_cell_length_c   6.850
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   611.138
_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
  Lu  Lu0  1  0.533  0.067  0.523  1.0
  Lu  Lu1  1  0.933  0.467  0.523  1.0
  Lu  Lu2  1  0.533  0.467  0.523  1.0
  Lu  Lu3  1  0.467  0.933  0.023  1.0
  Lu  Lu4  1  0.067  0.533  0.023  1.0
  Lu  Lu5  1  0.467  0.533  0.023  1.0
  Lu  Lu6  1  0.179  0.358  0.731  1.0
  Lu  Lu7  1  0.642  0.821  0.731  1.0
  Lu  Lu8  1  0.179  0.821  0.731  1.0
  Lu  Lu9  1  0.821  0.642  0.231  1.0
  Lu  Lu10  1  0.358  0.179  0.231  1.0
  Lu  Lu11  1  0.821  0.179  0.231  1.0
  Lu  Lu12  1  0.667  0.333  0.909  1.0
  Lu  Lu13  1  0.333  0.667  0.409  1.0
  Lu  Lu14  1  0.000  0.000  0.505  1.0
  Lu  Lu15  1  0.000  0.000  0.005  1.0
  In  In16  1  0.836  0.673  0.769  1.0
  In  In17  1  0.327  0.164  0.769  1.0
  In  In18  1  0.836  0.164  0.769  1.0
  In  In19  1  0.164  0.327  0.269  1.0
  In  In20  1  0.673  0.836  0.269  1.0
  In  In21  1  0.164  0.836  0.269  1.0
  Co  Co22  1  0.667  0.333  0.295  1.0
  Co  Co23  1  0.333  0.667  0.795  1.0
[/CIF]
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