The compound described by Lu3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Pr(1) atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent Pr(1)Lu12 cuboctahedra; corners with fourteen equivalent Lu(1)Pr4Lu8 cuboctahedra; edges with six equivalent Pr(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Pr4Lu8 cuboctahedra; faces with four equivalent Pr(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Pr4Lu8 cuboctahedra. In the second Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Pr(1) atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent Pr(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1,1)Pr4Lu8 cuboctahedra; edges with six equivalent Pr(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Pr4Lu8 cuboctahedra; faces with four equivalent Pr(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Pr4Lu8 cuboctahedra. In the third Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Pr(1) atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent Pr(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1,1)Pr4Lu8 cuboctahedra; edges with six equivalent Pr(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Pr4Lu8 cuboctahedra; faces with four equivalent Pr(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Pr4Lu8 cuboctahedra. Pr(1) is bonded to twelve Lu(1,1,1) atoms to form PrLu12 cuboctahedra that share corners with six equivalent Pr(1)Lu12 cuboctahedra; corners with twelve Lu(1,1,1)Pr4Lu8 cuboctahedra; edges with eighteen Lu(1,1,1)Pr4Lu8 cuboctahedra; faces with eight equivalent Pr(1)Lu12 cuboctahedra; and faces with twelve Lu(1,1,1)Pr4Lu8 cuboctahedra. is represented by the CIF card [CIF]
data_PrLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.164
_cell_length_b   7.164
_cell_length_c   5.679
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   252.378
_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
  Pr  Pr0  1  0.333  0.667  0.750  1.0
  Pr  Pr1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.163  0.327  0.250  1.0
  Lu  Lu3  1  0.673  0.837  0.250  1.0
  Lu  Lu4  1  0.163  0.837  0.250  1.0
  Lu  Lu5  1  0.837  0.673  0.750  1.0
  Lu  Lu6  1  0.327  0.163  0.750  1.0
  Lu  Lu7  1  0.837  0.163  0.750  1.0
[/CIF]
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The compound described by Lu3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Pr(1) atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent Pr(1)Lu12 cuboctahedra; corners with fourteen equivalent Lu(1)Pr4Lu8 cuboctahedra; edges with six equivalent Pr(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Pr4Lu8 cuboctahedra; faces with four equivalent Pr(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Pr4Lu8 cuboctahedra. In the second Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Pr(1) atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent Pr(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1,1)Pr4Lu8 cuboctahedra; edges with six equivalent Pr(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Pr4Lu8 cuboctahedra; faces with four equivalent Pr(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Pr4Lu8 cuboctahedra. In the third Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Pr(1) atoms to form LuPr4Lu8 cuboctahedra that share corners with four equivalent Pr(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1,1)Pr4Lu8 cuboctahedra; edges with six equivalent Pr(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Pr4Lu8 cuboctahedra; faces with four equivalent Pr(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Pr4Lu8 cuboctahedra. Pr(1) is bonded to twelve Lu(1,1,1) atoms to form PrLu12 cuboctahedra that share corners with six equivalent Pr(1)Lu12 cuboctahedra; corners with twelve Lu(1,1,1)Pr4Lu8 cuboctahedra; edges with eighteen Lu(1,1,1)Pr4Lu8 cuboctahedra; faces with eight equivalent Pr(1)Lu12 cuboctahedra; and faces with twelve Lu(1,1,1)Pr4Lu8 cuboctahedra. is represented by the CIF card [CIF]
data_PrLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.164
_cell_length_b   7.164
_cell_length_c   5.679
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   252.378
_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
  Pr  Pr0  1  0.333  0.667  0.750  1.0
  Pr  Pr1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.163  0.327  0.250  1.0
  Lu  Lu3  1  0.673  0.837  0.250  1.0
  Lu  Lu4  1  0.163  0.837  0.250  1.0
  Lu  Lu5  1  0.837  0.673  0.750  1.0
  Lu  Lu6  1  0.327  0.163  0.750  1.0
  Lu  Lu7  1  0.837  0.163  0.750  1.0
[/CIF]
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