The compound described by Tm3Pr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Tm(1), four equivalent Tm(2), and four equivalent Pr(1) atoms to form TmPr4Tm8 cuboctahedra that share corners with twelve equivalent Tm(1)Pr4Tm8 cuboctahedra, edges with eight equivalent Tm(1)Pr4Tm8 cuboctahedra, edges with eight equivalent Tm(2)Pr4Tm8 cuboctahedra, edges with eight equivalent Pr(1)Tm12 cuboctahedra, faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra, faces with four equivalent Pr(1)Tm12 cuboctahedra, and faces with ten equivalent Tm(1)Pr4Tm8 cuboctahedra. In the second Tm site, Tm(2) is bonded to eight equivalent Tm(1) and four equivalent Pr(1) atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent Tm(2)Pr4Tm8 cuboctahedra, corners with eight equivalent Pr(1)Tm12 cuboctahedra, edges with eight equivalent Tm(2)Pr4Tm8 cuboctahedra, edges with sixteen equivalent Tm(1)Pr4Tm8 cuboctahedra, faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra, faces with six equivalent Pr(1)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Pr4Tm8 cuboctahedra. Pr(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form PrTm12 cuboctahedra that share corners with four equivalent Pr(1)Tm12 cuboctahedra, corners with eight equivalent Tm(2)Pr4Tm8 cuboctahedra, edges with eight equivalent Pr(1)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Pr4Tm8 cuboctahedra, faces with four equivalent Pr(1)Tm12 cuboctahedra, faces with six equivalent Tm(2)Pr4Tm8 cuboctahedra, and faces with eight equivalent Tm(1)Pr4Tm8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   6.120
_cell_angle_alpha   131.328
_cell_angle_beta   131.328
_cell_angle_gamma   71.292
_symmetry_Int_Tables_number   1
_cell_volume   126.519
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.750  0.250  0.500  1.0
  Tm  Tm2  1  0.250  0.750  0.500  1.0
  Tm  Tm3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Tm3Pr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Tm(1), four equivalent Tm(2), and four equivalent Pr(1) atoms to form TmPr4Tm8 cuboctahedra that share corners with twelve equivalent Tm(1)Pr4Tm8 cuboctahedra, edges with eight equivalent Tm(1)Pr4Tm8 cuboctahedra, edges with eight equivalent Tm(2)Pr4Tm8 cuboctahedra, edges with eight equivalent Pr(1)Tm12 cuboctahedra, faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra, faces with four equivalent Pr(1)Tm12 cuboctahedra, and faces with ten equivalent Tm(1)Pr4Tm8 cuboctahedra. In the second Tm site, Tm(2) is bonded to eight equivalent Tm(1) and four equivalent Pr(1) atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent Tm(2)Pr4Tm8 cuboctahedra, corners with eight equivalent Pr(1)Tm12 cuboctahedra, edges with eight equivalent Tm(2)Pr4Tm8 cuboctahedra, edges with sixteen equivalent Tm(1)Pr4Tm8 cuboctahedra, faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra, faces with six equivalent Pr(1)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Pr4Tm8 cuboctahedra. Pr(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form PrTm12 cuboctahedra that share corners with four equivalent Pr(1)Tm12 cuboctahedra, corners with eight equivalent Tm(2)Pr4Tm8 cuboctahedra, edges with eight equivalent Pr(1)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Pr4Tm8 cuboctahedra, faces with four equivalent Pr(1)Tm12 cuboctahedra, faces with six equivalent Tm(2)Pr4Tm8 cuboctahedra, and faces with eight equivalent Tm(1)Pr4Tm8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.120
_cell_length_b   6.120
_cell_length_c   6.120
_cell_angle_alpha   131.328
_cell_angle_beta   131.328
_cell_angle_gamma   71.292
_symmetry_Int_Tables_number   1
_cell_volume   126.519
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.750  0.250  0.500  1.0
  Tm  Tm2  1  0.250  0.750  0.500  1.0
  Tm  Tm3  1  0.500  0.500  0.000  1.0
[/CIF]
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