The material structure described by Tm3Pr is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. There are four 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 four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with ten Tm(1,1)Pr4Tm8 cuboctahedra; edges with six Tm(1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1)Pr4Tm8 cuboctahedra. In the second 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 four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with ten Tm(1,1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1)Pr4Tm8 cuboctahedra. In the third Tm site, Tm(2) is bonded to eight Tm(1,1,1) and four equivalent Pr(1) atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with six equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with eight Tm(1,1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; edges with twelve Tm(1,1,1)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; faces with eight Tm(1,1,1)Pr4Tm8 cuboctahedra; and faces with eight equivalent Tm(2)Pr4Tm8 cuboctahedra. In the fourth 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 four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with ten Tm(1,1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1,1)Pr4Tm8 cuboctahedra. Pr(1) is bonded to four equivalent Tm(2) and eight Tm(1,1) atoms to form PrTm12 cuboctahedra that share corners with four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with six equivalent Pr(1)Tm12 cuboctahedra; corners with eight Tm(1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with twelve Tm(1,1,1)Pr4Tm8 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with eight Tm(1,1)Pr4Tm8 cuboctahedra; and faces with eight equivalent Pr(1)Tm12 cuboctahedra. is represented by the CIF card [CIF]
data_PrTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.212
_cell_length_b   7.217
_cell_length_c   5.747
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.021
_symmetry_Int_Tables_number   1
_cell_volume   258.971
_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  0.667  0.334  0.250  1.0
  Pr  Pr1  1  0.333  0.666  0.750  1.0
  Tm  Tm2  1  0.164  0.836  0.250  1.0
  Tm  Tm3  1  0.836  0.672  0.750  1.0
  Tm  Tm4  1  0.327  0.164  0.750  1.0
  Tm  Tm5  1  0.673  0.836  0.250  1.0
  Tm  Tm6  1  0.164  0.328  0.250  1.0
  Tm  Tm7  1  0.836  0.164  0.750  1.0
[/CIF]
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The material structure described by Tm3Pr is beta Cu3Ti-like structured and crystallizes in the orthorhombic Cmcm space group. There are four 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 four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with ten Tm(1,1)Pr4Tm8 cuboctahedra; edges with six Tm(1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1)Pr4Tm8 cuboctahedra. In the second 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 four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with ten Tm(1,1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1)Pr4Tm8 cuboctahedra. In the third Tm site, Tm(2) is bonded to eight Tm(1,1,1) and four equivalent Pr(1) atoms to form TmPr4Tm8 cuboctahedra that share corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with six equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with eight Tm(1,1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; edges with twelve Tm(1,1,1)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; faces with eight Tm(1,1,1)Pr4Tm8 cuboctahedra; and faces with eight equivalent Tm(2)Pr4Tm8 cuboctahedra. In the fourth 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 four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with four equivalent Pr(1)Tm12 cuboctahedra; corners with ten Tm(1,1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with six equivalent Pr(1)Tm12 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with four equivalent Pr(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1,1)Pr4Tm8 cuboctahedra. Pr(1) is bonded to four equivalent Tm(2) and eight Tm(1,1) atoms to form PrTm12 cuboctahedra that share corners with four equivalent Tm(2)Pr4Tm8 cuboctahedra; corners with six equivalent Pr(1)Tm12 cuboctahedra; corners with eight Tm(1,1)Pr4Tm8 cuboctahedra; edges with six equivalent Tm(2)Pr4Tm8 cuboctahedra; edges with twelve Tm(1,1,1)Pr4Tm8 cuboctahedra; faces with four equivalent Tm(2)Pr4Tm8 cuboctahedra; faces with eight Tm(1,1)Pr4Tm8 cuboctahedra; and faces with eight equivalent Pr(1)Tm12 cuboctahedra. is represented by the CIF card [CIF]
data_PrTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.212
_cell_length_b   7.217
_cell_length_c   5.747
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.021
_symmetry_Int_Tables_number   1
_cell_volume   258.971
_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  0.667  0.334  0.250  1.0
  Pr  Pr1  1  0.333  0.666  0.750  1.0
  Tm  Tm2  1  0.164  0.836  0.250  1.0
  Tm  Tm3  1  0.836  0.672  0.750  1.0
  Tm  Tm4  1  0.327  0.164  0.750  1.0
  Tm  Tm5  1  0.673  0.836  0.250  1.0
  Tm  Tm6  1  0.164  0.328  0.250  1.0
  Tm  Tm7  1  0.836  0.164  0.750  1.0
[/CIF]
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