The material structure described by Tm3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to eight Tm(1,1) and four equivalent Sm(1) atoms to form TmSm4Tm8 cuboctahedra that share corners with four equivalent Sm(1)Tm12 cuboctahedra; corners with fourteen Tm(1,1)Sm4Tm8 cuboctahedra; edges with six equivalent Sm(1)Tm12 cuboctahedra; edges with twelve Tm(1,1)Sm4Tm8 cuboctahedra; faces with four equivalent Sm(1)Tm12 cuboctahedra; and faces with sixteen Tm(1,1)Sm4Tm8 cuboctahedra. In the second Tm site, Tm(1) is bonded to eight Tm(1,1) and four equivalent Sm(1) atoms to form TmSm4Tm8 cuboctahedra that share corners with four equivalent Sm(1)Tm12 cuboctahedra; corners with fourteen Tm(1,1)Sm4Tm8 cuboctahedra; edges with six equivalent Sm(1)Tm12 cuboctahedra; edges with twelve Tm(1,1)Sm4Tm8 cuboctahedra; faces with four equivalent Sm(1)Tm12 cuboctahedra; and faces with sixteen Tm(1,1)Sm4Tm8 cuboctahedra. Sm(1) is bonded to twelve Tm(1,1) atoms to form SmTm12 cuboctahedra that share corners with six equivalent Sm(1)Tm12 cuboctahedra; corners with twelve equivalent Tm(1)Sm4Tm8 cuboctahedra; edges with eighteen Tm(1,1)Sm4Tm8 cuboctahedra; faces with eight equivalent Sm(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1)Sm4Tm8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.209
_cell_length_b   7.209
_cell_length_c   5.566
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.476
_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
  Sm  Sm0  1  0.333  0.667  0.750  1.0
  Sm  Sm1  1  0.667  0.333  0.250  1.0
  Tm  Tm2  1  0.165  0.330  0.250  1.0
  Tm  Tm3  1  0.670  0.835  0.250  1.0
  Tm  Tm4  1  0.165  0.835  0.250  1.0
  Tm  Tm5  1  0.835  0.670  0.750  1.0
  Tm  Tm6  1  0.330  0.165  0.750  1.0
  Tm  Tm7  1  0.835  0.165  0.750  1.0
[/CIF]
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The material structure described by Tm3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to eight Tm(1,1) and four equivalent Sm(1) atoms to form TmSm4Tm8 cuboctahedra that share corners with four equivalent Sm(1)Tm12 cuboctahedra; corners with fourteen Tm(1,1)Sm4Tm8 cuboctahedra; edges with six equivalent Sm(1)Tm12 cuboctahedra; edges with twelve Tm(1,1)Sm4Tm8 cuboctahedra; faces with four equivalent Sm(1)Tm12 cuboctahedra; and faces with sixteen Tm(1,1)Sm4Tm8 cuboctahedra. In the second Tm site, Tm(1) is bonded to eight Tm(1,1) and four equivalent Sm(1) atoms to form TmSm4Tm8 cuboctahedra that share corners with four equivalent Sm(1)Tm12 cuboctahedra; corners with fourteen Tm(1,1)Sm4Tm8 cuboctahedra; edges with six equivalent Sm(1)Tm12 cuboctahedra; edges with twelve Tm(1,1)Sm4Tm8 cuboctahedra; faces with four equivalent Sm(1)Tm12 cuboctahedra; and faces with sixteen Tm(1,1)Sm4Tm8 cuboctahedra. Sm(1) is bonded to twelve Tm(1,1) atoms to form SmTm12 cuboctahedra that share corners with six equivalent Sm(1)Tm12 cuboctahedra; corners with twelve equivalent Tm(1)Sm4Tm8 cuboctahedra; edges with eighteen Tm(1,1)Sm4Tm8 cuboctahedra; faces with eight equivalent Sm(1)Tm12 cuboctahedra; and faces with twelve Tm(1,1)Sm4Tm8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.209
_cell_length_b   7.209
_cell_length_c   5.566
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.476
_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
  Sm  Sm0  1  0.333  0.667  0.750  1.0
  Sm  Sm1  1  0.667  0.333  0.250  1.0
  Tm  Tm2  1  0.165  0.330  0.250  1.0
  Tm  Tm3  1  0.670  0.835  0.250  1.0
  Tm  Tm4  1  0.165  0.835  0.250  1.0
  Tm  Tm5  1  0.835  0.670  0.750  1.0
  Tm  Tm6  1  0.330  0.165  0.750  1.0
  Tm  Tm7  1  0.835  0.165  0.750  1.0
[/CIF]
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