The compound described by Lu3(Ni3Si)2 crystallizes in the cubic Im-3m space group. Lu(1) is bonded in a 12-coordinate geometry to eight equivalent Ni(1) and four equivalent Si(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Lu(1), four equivalent Ni(1), and two equivalent Si(1) atoms. Si(1) is bonded to six equivalent Lu(1) and six equivalent Ni(1) atoms to form a mixture of face and corner-sharing SiLu6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_Lu3(SiNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.466
_cell_length_b   7.466
_cell_length_c   7.466
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   320.393
_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  0.717  0.717  0.000  1.0
  Lu  Lu1  1  0.283  0.000  0.283  1.0
  Lu  Lu2  1  0.000  0.283  0.283  1.0
  Lu  Lu3  1  0.283  0.283  0.000  1.0
  Lu  Lu4  1  0.717  0.000  0.717  1.0
  Lu  Lu5  1  0.000  0.717  0.717  1.0
  Si  Si6  1  0.000  0.000  0.500  1.0
  Si  Si7  1  0.000  0.500  0.000  1.0
  Si  Si8  1  0.500  0.000  0.000  1.0
  Si  Si9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.332  0.332  0.663  1.0
  Ni  Ni11  1  0.668  0.000  0.332  1.0
  Ni  Ni12  1  0.000  0.668  0.332  1.0
  Ni  Ni13  1  0.668  0.332  0.000  1.0
  Ni  Ni14  1  0.332  0.663  0.332  1.0
  Ni  Ni15  1  0.000  0.332  0.668  1.0
  Ni  Ni16  1  0.332  0.668  0.000  1.0
  Ni  Ni17  1  0.332  0.000  0.668  1.0
  Ni  Ni18  1  0.663  0.332  0.332  1.0
  Ni  Ni19  1  0.668  0.668  0.337  1.0
  Ni  Ni20  1  0.668  0.337  0.668  1.0
  Ni  Ni21  1  0.337  0.668  0.668  1.0
[/CIF]
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The compound described by Lu3(Ni3Si)2 crystallizes in the cubic Im-3m space group. Lu(1) is bonded in a 12-coordinate geometry to eight equivalent Ni(1) and four equivalent Si(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to four equivalent Lu(1), four equivalent Ni(1), and two equivalent Si(1) atoms. Si(1) is bonded to six equivalent Lu(1) and six equivalent Ni(1) atoms to form a mixture of face and corner-sharing SiLu6Ni6 cuboctahedra. is represented by the CIF file [CIF]
data_Lu3(SiNi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.466
_cell_length_b   7.466
_cell_length_c   7.466
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   320.393
_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  0.717  0.717  0.000  1.0
  Lu  Lu1  1  0.283  0.000  0.283  1.0
  Lu  Lu2  1  0.000  0.283  0.283  1.0
  Lu  Lu3  1  0.283  0.283  0.000  1.0
  Lu  Lu4  1  0.717  0.000  0.717  1.0
  Lu  Lu5  1  0.000  0.717  0.717  1.0
  Si  Si6  1  0.000  0.000  0.500  1.0
  Si  Si7  1  0.000  0.500  0.000  1.0
  Si  Si8  1  0.500  0.000  0.000  1.0
  Si  Si9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.332  0.332  0.663  1.0
  Ni  Ni11  1  0.668  0.000  0.332  1.0
  Ni  Ni12  1  0.000  0.668  0.332  1.0
  Ni  Ni13  1  0.668  0.332  0.000  1.0
  Ni  Ni14  1  0.332  0.663  0.332  1.0
  Ni  Ni15  1  0.000  0.332  0.668  1.0
  Ni  Ni16  1  0.332  0.668  0.000  1.0
  Ni  Ni17  1  0.332  0.000  0.668  1.0
  Ni  Ni18  1  0.663  0.332  0.332  1.0
  Ni  Ni19  1  0.668  0.668  0.337  1.0
  Ni  Ni20  1  0.668  0.337  0.668  1.0
  Ni  Ni21  1  0.337  0.668  0.668  1.0
[/CIF]
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