The material described by TmSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form TmSm12 cuboctahedra that share corners with four equivalent Tm(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Sm8Tm4 cuboctahedra, edges with eight equivalent Tm(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Tm4 cuboctahedra, faces with four equivalent Tm(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Sm8Tm4 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Tm4 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Tm(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmSm8Tm4 cuboctahedra that share corners with twelve equivalent Sm(1)Sm8Tm4 cuboctahedra, edges with eight equivalent Tm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)Sm8Tm4 cuboctahedra, edges with eight equivalent Sm(2)Sm8Tm4 cuboctahedra, faces with four equivalent Tm(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Sm8Tm4 cuboctahedra, and faces with ten equivalent Sm(1)Sm8Tm4 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Tm(1) and eight equivalent Sm(1) atoms to form SmSm8Tm4 cuboctahedra that share corners with four equivalent Sm(2)Sm8Tm4 cuboctahedra, corners with eight equivalent Tm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Sm8Tm4 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Tm4 cuboctahedra, faces with four equivalent Sm(2)Sm8Tm4 cuboctahedra, faces with six equivalent Tm(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Tm4 cuboctahedra. is represented by the CIF card [CIF]
data_Sm3Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.213
_cell_length_b   6.213
_cell_length_c   6.213
_cell_angle_alpha   131.607
_cell_angle_beta   131.607
_cell_angle_gamma   70.851
_symmetry_Int_Tables_number   1
_cell_volume   131.308
_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
  Sm  Sm0  1  0.750  0.250  0.500  1.0
  Sm  Sm1  1  0.250  0.750  0.500  1.0
  Sm  Sm2  1  0.500  0.500  0.000  1.0
  Tm  Tm3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by TmSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form TmSm12 cuboctahedra that share corners with four equivalent Tm(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Sm8Tm4 cuboctahedra, edges with eight equivalent Tm(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Tm4 cuboctahedra, faces with four equivalent Tm(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Sm8Tm4 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Tm4 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Tm(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmSm8Tm4 cuboctahedra that share corners with twelve equivalent Sm(1)Sm8Tm4 cuboctahedra, edges with eight equivalent Tm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)Sm8Tm4 cuboctahedra, edges with eight equivalent Sm(2)Sm8Tm4 cuboctahedra, faces with four equivalent Tm(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Sm8Tm4 cuboctahedra, and faces with ten equivalent Sm(1)Sm8Tm4 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Tm(1) and eight equivalent Sm(1) atoms to form SmSm8Tm4 cuboctahedra that share corners with four equivalent Sm(2)Sm8Tm4 cuboctahedra, corners with eight equivalent Tm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Sm8Tm4 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Tm4 cuboctahedra, faces with four equivalent Sm(2)Sm8Tm4 cuboctahedra, faces with six equivalent Tm(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Tm4 cuboctahedra. is represented by the CIF card [CIF]
data_Sm3Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.213
_cell_length_b   6.213
_cell_length_c   6.213
_cell_angle_alpha   131.607
_cell_angle_beta   131.607
_cell_angle_gamma   70.851
_symmetry_Int_Tables_number   1
_cell_volume   131.308
_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
  Sm  Sm0  1  0.750  0.250  0.500  1.0
  Sm  Sm1  1  0.250  0.750  0.500  1.0
  Sm  Sm2  1  0.500  0.500  0.000  1.0
  Tm  Tm3  1  0.000  0.000  0.000  1.0
[/CIF]
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