The compound described by TmCo4Al crystallizes in the hexagonal P-6m2 space group. Tm(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Al(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Tm(1), six equivalent Co(2), and three equivalent Al(1) atoms to form CoTm3Al3Co6 cuboctahedra that share corners with nine equivalent Al(1)Tm3Co9 cuboctahedra, corners with twelve equivalent Co(2)Tm4Al2Co6 cuboctahedra, edges with six equivalent Co(1)Tm3Al3Co6 cuboctahedra, faces with two equivalent Co(1)Tm3Al3Co6 cuboctahedra, faces with three equivalent Al(1)Tm3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Tm4Al2Co6 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Tm(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoTm4Al2Co6 cuboctahedra that share corners with four equivalent Co(1)Tm3Al3Co6 cuboctahedra, corners with four equivalent Al(1)Tm3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Tm4Al2Co6 cuboctahedra, edges with ten equivalent Co(2)Tm4Al2Co6 cuboctahedra, faces with six equivalent Co(1)Tm3Al3Co6 cuboctahedra, faces with six equivalent Al(1)Tm3Co9 cuboctahedra, and faces with ten equivalent Co(2)Tm4Al2Co6 cuboctahedra. Al(1) is bonded to three equivalent Tm(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted AlTm3Co9 cuboctahedra that share corners with nine equivalent Co(1)Tm3Al3Co6 cuboctahedra, corners with twelve equivalent Co(2)Tm4Al2Co6 cuboctahedra, edges with six equivalent Al(1)Tm3Co9 cuboctahedra, faces with two equivalent Al(1)Tm3Co9 cuboctahedra, faces with three equivalent Co(1)Tm3Al3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Tm4Al2Co6 cuboctahedra. is represented by the CIF file [CIF]
data_TmAlCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.018
_cell_length_b   5.018
_cell_length_c   3.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.894
_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
  Tm  Tm0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  0.667  0.333  0.000  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.836  0.673  0.500  1.0
  Co  Co4  1  0.327  0.164  0.500  1.0
  Co  Co5  1  0.836  0.164  0.500  1.0
[/CIF]
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The compound described by TmCo4Al crystallizes in the hexagonal P-6m2 space group. Tm(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Al(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Tm(1), six equivalent Co(2), and three equivalent Al(1) atoms to form CoTm3Al3Co6 cuboctahedra that share corners with nine equivalent Al(1)Tm3Co9 cuboctahedra, corners with twelve equivalent Co(2)Tm4Al2Co6 cuboctahedra, edges with six equivalent Co(1)Tm3Al3Co6 cuboctahedra, faces with two equivalent Co(1)Tm3Al3Co6 cuboctahedra, faces with three equivalent Al(1)Tm3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Tm4Al2Co6 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Tm(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoTm4Al2Co6 cuboctahedra that share corners with four equivalent Co(1)Tm3Al3Co6 cuboctahedra, corners with four equivalent Al(1)Tm3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Tm4Al2Co6 cuboctahedra, edges with ten equivalent Co(2)Tm4Al2Co6 cuboctahedra, faces with six equivalent Co(1)Tm3Al3Co6 cuboctahedra, faces with six equivalent Al(1)Tm3Co9 cuboctahedra, and faces with ten equivalent Co(2)Tm4Al2Co6 cuboctahedra. Al(1) is bonded to three equivalent Tm(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted AlTm3Co9 cuboctahedra that share corners with nine equivalent Co(1)Tm3Al3Co6 cuboctahedra, corners with twelve equivalent Co(2)Tm4Al2Co6 cuboctahedra, edges with six equivalent Al(1)Tm3Co9 cuboctahedra, faces with two equivalent Al(1)Tm3Co9 cuboctahedra, faces with three equivalent Co(1)Tm3Al3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Tm4Al2Co6 cuboctahedra. is represented by the CIF file [CIF]
data_TmAlCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.018
_cell_length_b   5.018
_cell_length_c   3.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.894
_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
  Tm  Tm0  1  0.333  0.667  0.000  1.0
  Al  Al1  1  0.667  0.333  0.000  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.836  0.673  0.500  1.0
  Co  Co4  1  0.327  0.164  0.500  1.0
  Co  Co5  1  0.836  0.164  0.500  1.0
[/CIF]
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