The compound described by LuNiSi2 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), four equivalent Si(2), and six equivalent Si(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Lu(1), one Ni(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded to four equivalent Lu(1), four equivalent Ni(1), and four equivalent Si(2) atoms to form a mixture of distorted face and corner-sharing SiLu4Si4Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_LuSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.496
_cell_length_b   8.496
_cell_length_c   3.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.692
_symmetry_Int_Tables_number   1
_cell_volume   123.258
_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  0.895  0.105  0.750  1.0
  Lu  Lu1  1  0.105  0.895  0.250  1.0
  Si  Si2  1  0.540  0.460  0.750  1.0
  Si  Si3  1  0.460  0.540  0.250  1.0
  Si  Si4  1  0.250  0.750  0.750  1.0
  Si  Si5  1  0.750  0.250  0.250  1.0
  Ni  Ni6  1  0.674  0.326  0.750  1.0
  Ni  Ni7  1  0.326  0.674  0.250  1.0
[/CIF]
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The compound described by LuNiSi2 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), four equivalent Si(2), and six equivalent Si(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to four equivalent Lu(1), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Lu(1), one Ni(1), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded to four equivalent Lu(1), four equivalent Ni(1), and four equivalent Si(2) atoms to form a mixture of distorted face and corner-sharing SiLu4Si4Ni4 cuboctahedra. is represented by the CIF file [CIF]
data_LuSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.496
_cell_length_b   8.496
_cell_length_c   3.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.692
_symmetry_Int_Tables_number   1
_cell_volume   123.258
_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  0.895  0.105  0.750  1.0
  Lu  Lu1  1  0.105  0.895  0.250  1.0
  Si  Si2  1  0.540  0.460  0.750  1.0
  Si  Si3  1  0.460  0.540  0.250  1.0
  Si  Si4  1  0.250  0.750  0.750  1.0
  Si  Si5  1  0.750  0.250  0.250  1.0
  Ni  Ni6  1  0.674  0.326  0.750  1.0
  Ni  Ni7  1  0.326  0.674  0.250  1.0
[/CIF]
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