The material structure described by Y3NiSi3 crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Si(1), and four equivalent Si(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the third Y site, Y(3) is bonded to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form a mixture of distorted edge and face-sharing YSi8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(3), one Si(3), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(3), four equivalent Y(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(3), four equivalent Y(1), and two equivalent Ni(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(3), one Ni(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Si3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.169
_cell_length_b   9.169
_cell_length_c   9.169
_cell_angle_alpha   155.386
_cell_angle_beta   153.877
_cell_angle_gamma   36.197
_symmetry_Int_Tables_number   1
_cell_volume   141.159
_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  0.818  0.318  0.500  1.0
  Y  Y1  1  0.184  0.684  0.500  1.0
  Y  Y2  1  0.999  0.999  0.000  1.0
  Si  Si3  1  0.644  0.144  0.500  1.0
  Si  Si4  1  0.362  0.862  0.500  1.0
  Si  Si5  1  0.560  0.560  0.000  1.0
  Ni  Ni6  1  0.433  0.433  0.000  1.0
[/CIF]
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The material structure described by Y3NiSi3 crystallizes in the orthorhombic Imm2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one Si(1), and four equivalent Si(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the third Y site, Y(3) is bonded to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form a mixture of distorted edge and face-sharing YSi8Ni4 cuboctahedra. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), four equivalent Y(3), one Si(3), and two equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Y(1), two equivalent Y(3), four equivalent Y(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Y(2), two equivalent Y(3), four equivalent Y(1), and two equivalent Ni(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Y(2), four equivalent Y(3), one Ni(1), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Si3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.169
_cell_length_b   9.169
_cell_length_c   9.169
_cell_angle_alpha   155.386
_cell_angle_beta   153.877
_cell_angle_gamma   36.197
_symmetry_Int_Tables_number   1
_cell_volume   141.159
_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  0.818  0.318  0.500  1.0
  Y  Y1  1  0.184  0.684  0.500  1.0
  Y  Y2  1  0.999  0.999  0.000  1.0
  Si  Si3  1  0.644  0.144  0.500  1.0
  Si  Si4  1  0.362  0.862  0.500  1.0
  Si  Si5  1  0.560  0.560  0.000  1.0
  Ni  Ni6  1  0.433  0.433  0.000  1.0
[/CIF]
.