The crystal structure described by YNiCuSi2 crystallizes in the tetragonal I-4m2 space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Ni(1) is bonded to four equivalent Y(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted NiY4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Y4Si4Ni4 cuboctahedra, corners with twelve equivalent Ni(1)Y4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)Y4Si4Ni4 cuboctahedra, faces with four equivalent Ni(1)Y4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Y4Si4Ni4 cuboctahedra. Cu(1) is bonded to four equivalent Y(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form distorted CuY4Si4Ni4 cuboctahedra that share corners with four equivalent Ni(1)Y4Cu4Si4 cuboctahedra, corners with twelve equivalent Cu(1)Y4Si4Ni4 cuboctahedra, edges with two equivalent Ni(1)Y4Cu4Si4 cuboctahedra, faces with four equivalent Ni(1)Y4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Y4Si4Ni4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), two equivalent Cu(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_YCuSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.655
_cell_length_c   5.655
_cell_angle_alpha   138.780
_cell_angle_beta   138.780
_cell_angle_gamma   59.711
_symmetry_Int_Tables_number   1
_cell_volume   77.741
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Si  Si2  1  0.622  0.622  0.000  1.0
  Si  Si3  1  0.378  0.378  0.000  1.0
  Ni  Ni4  1  0.750  0.250  0.500  1.0
[/CIF]
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The crystal structure described by YNiCuSi2 crystallizes in the tetragonal I-4m2 space group. Y(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Ni(1) is bonded to four equivalent Y(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted NiY4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Y4Si4Ni4 cuboctahedra, corners with twelve equivalent Ni(1)Y4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)Y4Si4Ni4 cuboctahedra, faces with four equivalent Ni(1)Y4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Y4Si4Ni4 cuboctahedra. Cu(1) is bonded to four equivalent Y(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form distorted CuY4Si4Ni4 cuboctahedra that share corners with four equivalent Ni(1)Y4Cu4Si4 cuboctahedra, corners with twelve equivalent Cu(1)Y4Si4Ni4 cuboctahedra, edges with two equivalent Ni(1)Y4Cu4Si4 cuboctahedra, faces with four equivalent Ni(1)Y4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Y4Si4Ni4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), two equivalent Ni(1), two equivalent Cu(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_YCuSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.655
_cell_length_c   5.655
_cell_angle_alpha   138.780
_cell_angle_beta   138.780
_cell_angle_gamma   59.711
_symmetry_Int_Tables_number   1
_cell_volume   77.741
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Si  Si2  1  0.622  0.622  0.000  1.0
  Si  Si3  1  0.378  0.378  0.000  1.0
  Ni  Ni4  1  0.750  0.250  0.500  1.0
[/CIF]
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