The material structure described by Lu2PdSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Pd(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form LuSi8Pd4 cuboctahedra that share edges with four equivalent Lu(1)Si8Pd4 cuboctahedra, edges with eight equivalent Lu(2)Si10Pd2 cuboctahedra, faces with four equivalent Lu(2)Si10Pd2 cuboctahedra, and faces with four equivalent Lu(1)Si8Pd4 cuboctahedra. In the second Lu site, Lu(2) is bonded to two equivalent Pd(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms to form LuSi10Pd2 cuboctahedra that share edges with four equivalent Lu(2)Si10Pd2 cuboctahedra, edges with eight equivalent Lu(1)Si8Pd4 cuboctahedra, faces with four equivalent Lu(2)Si10Pd2 cuboctahedra, and faces with four equivalent Lu(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(1), 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 two equivalent Lu(1), four equivalent Lu(2), one Si(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Lu(2), two equivalent Pd(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Lu2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.854
_cell_length_b   4.143
_cell_length_c   6.891
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.028
_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
  Lu  Lu0  1  0.000  0.000  0.995  1.0
  Lu  Lu1  1  1.000  0.500  0.506  1.0
  Si  Si2  1  0.500  0.000  0.667  1.0
  Si  Si3  1  0.500  0.000  0.331  1.0
  Si  Si4  1  0.500  0.500  0.832  1.0
  Pd  Pd5  1  0.500  0.500  0.169  1.0
[/CIF]
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The material structure described by Lu2PdSi3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Pd(1), two equivalent Si(1), two equivalent Si(2), and four equivalent Si(3) atoms to form LuSi8Pd4 cuboctahedra that share edges with four equivalent Lu(1)Si8Pd4 cuboctahedra, edges with eight equivalent Lu(2)Si10Pd2 cuboctahedra, faces with four equivalent Lu(2)Si10Pd2 cuboctahedra, and faces with four equivalent Lu(1)Si8Pd4 cuboctahedra. In the second Lu site, Lu(2) is bonded to two equivalent Pd(1), two equivalent Si(3), four equivalent Si(1), and four equivalent Si(2) atoms to form LuSi10Pd2 cuboctahedra that share edges with four equivalent Lu(2)Si10Pd2 cuboctahedra, edges with eight equivalent Lu(1)Si8Pd4 cuboctahedra, faces with four equivalent Lu(2)Si10Pd2 cuboctahedra, and faces with four equivalent Lu(1)Si8Pd4 cuboctahedra. Pd(1) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(1), 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 two equivalent Lu(1), four equivalent Lu(2), one Si(2), and two equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Lu(1), four equivalent Lu(2), two equivalent Pd(1), and one Si(1) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(1), one Pd(1), and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Lu2Si3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.854
_cell_length_b   4.143
_cell_length_c   6.891
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.028
_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
  Lu  Lu0  1  0.000  0.000  0.995  1.0
  Lu  Lu1  1  1.000  0.500  0.506  1.0
  Si  Si2  1  0.500  0.000  0.667  1.0
  Si  Si3  1  0.500  0.000  0.331  1.0
  Si  Si4  1  0.500  0.500  0.832  1.0
  Pd  Pd5  1  0.500  0.500  0.169  1.0
[/CIF]
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