The crystal structure described by Lu5Pd2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to three equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted LuSb2Pd3 trigonal bipyramids that share corners with four equivalent Lu(2)Sb2Pd4 octahedra, corners with twelve equivalent Lu(1)Sb2Pd3 trigonal bipyramids, edges with seven equivalent Lu(1)Sb2Pd3 trigonal bipyramids, faces with two equivalent Lu(2)Sb2Pd4 octahedra, and  a faceface with one Lu(1)Sb2Pd3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-63°. In the second Lu site, Lu(2) is bonded to four equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted LuSb2Pd4 octahedra that share corners with six equivalent Lu(2)Sb2Pd4 octahedra, corners with sixteen equivalent Lu(1)Sb2Pd3 trigonal bipyramids, and faces with eight equivalent Lu(1)Sb2Pd3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-48°. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Lu(2) and six equivalent Lu(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Lu(2) and eight equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Lu5SbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.531
_cell_length_b   7.531
_cell_length_c   8.541
_cell_angle_alpha   116.158
_cell_angle_beta   116.158
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.760
_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  0.202  0.012  0.714  1.0
  Lu  Lu1  1  0.012  0.512  0.714  1.0
  Lu  Lu2  1  0.702  0.202  0.714  1.0
  Lu  Lu3  1  0.988  0.488  0.286  1.0
  Lu  Lu4  1  0.512  0.702  0.714  1.0
  Lu  Lu5  1  0.798  0.988  0.286  1.0
  Lu  Lu6  1  0.488  0.298  0.286  1.0
  Lu  Lu7  1  0.298  0.798  0.286  1.0
  Lu  Lu8  1  0.500  0.500  0.000  1.0
  Lu  Lu9  1  0.000  0.000  0.000  1.0
  Sb  Sb10  1  0.250  0.250  0.500  1.0
  Sb  Sb11  1  0.750  0.750  0.500  1.0
  Pd  Pd12  1  0.363  0.863  0.000  1.0
  Pd  Pd13  1  0.137  0.363  0.000  1.0
  Pd  Pd14  1  0.637  0.137  0.000  1.0
  Pd  Pd15  1  0.863  0.637  0.000  1.0
[/CIF]
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The crystal structure described by Lu5Pd2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to three equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted LuSb2Pd3 trigonal bipyramids that share corners with four equivalent Lu(2)Sb2Pd4 octahedra, corners with twelve equivalent Lu(1)Sb2Pd3 trigonal bipyramids, edges with seven equivalent Lu(1)Sb2Pd3 trigonal bipyramids, faces with two equivalent Lu(2)Sb2Pd4 octahedra, and  a faceface with one Lu(1)Sb2Pd3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-63°. In the second Lu site, Lu(2) is bonded to four equivalent Pd(1) and two equivalent Sb(1) atoms to form distorted LuSb2Pd4 octahedra that share corners with six equivalent Lu(2)Sb2Pd4 octahedra, corners with sixteen equivalent Lu(1)Sb2Pd3 trigonal bipyramids, and faces with eight equivalent Lu(1)Sb2Pd3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-48°. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Lu(2) and six equivalent Lu(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Lu(2) and eight equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_Lu5SbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.531
_cell_length_b   7.531
_cell_length_c   8.541
_cell_angle_alpha   116.158
_cell_angle_beta   116.158
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.760
_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  0.202  0.012  0.714  1.0
  Lu  Lu1  1  0.012  0.512  0.714  1.0
  Lu  Lu2  1  0.702  0.202  0.714  1.0
  Lu  Lu3  1  0.988  0.488  0.286  1.0
  Lu  Lu4  1  0.512  0.702  0.714  1.0
  Lu  Lu5  1  0.798  0.988  0.286  1.0
  Lu  Lu6  1  0.488  0.298  0.286  1.0
  Lu  Lu7  1  0.298  0.798  0.286  1.0
  Lu  Lu8  1  0.500  0.500  0.000  1.0
  Lu  Lu9  1  0.000  0.000  0.000  1.0
  Sb  Sb10  1  0.250  0.250  0.500  1.0
  Sb  Sb11  1  0.750  0.750  0.500  1.0
  Pd  Pd12  1  0.363  0.863  0.000  1.0
  Pd  Pd13  1  0.137  0.363  0.000  1.0
  Pd  Pd14  1  0.637  0.137  0.000  1.0
  Pd  Pd15  1  0.863  0.637  0.000  1.0
[/CIF]
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