The crystal structure described by Tm3Ce 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 Ce(1) atoms to form TmCe4Tm8 cuboctahedra that share corners with twelve equivalent Tm(1)Ce4Tm8 cuboctahedra, edges with eight equivalent Tm(1)Ce4Tm8 cuboctahedra, edges with eight equivalent Tm(2)Ce4Tm8 cuboctahedra, edges with eight equivalent Ce(1)Tm12 cuboctahedra, faces with four equivalent Tm(2)Ce4Tm8 cuboctahedra, faces with four equivalent Ce(1)Tm12 cuboctahedra, and faces with ten equivalent Tm(1)Ce4Tm8 cuboctahedra. In the second Tm site, Tm(2) is bonded to eight equivalent Tm(1) and four equivalent Ce(1) atoms to form TmCe4Tm8 cuboctahedra that share corners with four equivalent Tm(2)Ce4Tm8 cuboctahedra, corners with eight equivalent Ce(1)Tm12 cuboctahedra, edges with eight equivalent Tm(2)Ce4Tm8 cuboctahedra, edges with sixteen equivalent Tm(1)Ce4Tm8 cuboctahedra, faces with four equivalent Tm(2)Ce4Tm8 cuboctahedra, faces with six equivalent Ce(1)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Ce4Tm8 cuboctahedra. Ce(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form CeTm12 cuboctahedra that share corners with four equivalent Ce(1)Tm12 cuboctahedra, corners with eight equivalent Tm(2)Ce4Tm8 cuboctahedra, edges with eight equivalent Ce(1)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Ce4Tm8 cuboctahedra, faces with four equivalent Ce(1)Tm12 cuboctahedra, faces with six equivalent Tm(2)Ce4Tm8 cuboctahedra, and faces with eight equivalent Tm(1)Ce4Tm8 cuboctahedra. is represented by the CIF card [CIF]
data_CeTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.028
_cell_length_c   6.028
_cell_angle_alpha   131.627
_cell_angle_beta   131.627
_cell_angle_gamma   70.819
_symmetry_Int_Tables_number   1
_cell_volume   119.874
_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
  Ce  Ce0  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 crystal structure described by Tm3Ce 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 Ce(1) atoms to form TmCe4Tm8 cuboctahedra that share corners with twelve equivalent Tm(1)Ce4Tm8 cuboctahedra, edges with eight equivalent Tm(1)Ce4Tm8 cuboctahedra, edges with eight equivalent Tm(2)Ce4Tm8 cuboctahedra, edges with eight equivalent Ce(1)Tm12 cuboctahedra, faces with four equivalent Tm(2)Ce4Tm8 cuboctahedra, faces with four equivalent Ce(1)Tm12 cuboctahedra, and faces with ten equivalent Tm(1)Ce4Tm8 cuboctahedra. In the second Tm site, Tm(2) is bonded to eight equivalent Tm(1) and four equivalent Ce(1) atoms to form TmCe4Tm8 cuboctahedra that share corners with four equivalent Tm(2)Ce4Tm8 cuboctahedra, corners with eight equivalent Ce(1)Tm12 cuboctahedra, edges with eight equivalent Tm(2)Ce4Tm8 cuboctahedra, edges with sixteen equivalent Tm(1)Ce4Tm8 cuboctahedra, faces with four equivalent Tm(2)Ce4Tm8 cuboctahedra, faces with six equivalent Ce(1)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Ce4Tm8 cuboctahedra. Ce(1) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form CeTm12 cuboctahedra that share corners with four equivalent Ce(1)Tm12 cuboctahedra, corners with eight equivalent Tm(2)Ce4Tm8 cuboctahedra, edges with eight equivalent Ce(1)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Ce4Tm8 cuboctahedra, faces with four equivalent Ce(1)Tm12 cuboctahedra, faces with six equivalent Tm(2)Ce4Tm8 cuboctahedra, and faces with eight equivalent Tm(1)Ce4Tm8 cuboctahedra. is represented by the CIF card [CIF]
data_CeTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.028
_cell_length_b   6.028
_cell_length_c   6.028
_cell_angle_alpha   131.627
_cell_angle_beta   131.627
_cell_angle_gamma   70.819
_symmetry_Int_Tables_number   1
_cell_volume   119.874
_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
  Ce  Ce0  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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