The compound described by TmCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to three equivalent Tm(2), one Co(3), two equivalent Co(1), two equivalent Co(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Tm site, Tm(2) is bonded in a 16-coordinate geometry to one Tm(2), three equivalent Tm(1), one Co(1), two equivalent Co(3), four equivalent Co(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Tm(2), four equivalent Tm(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoTm6Al6 cuboctahedra that share corners with four equivalent Co(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Tm6Al6 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Tm6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), four equivalent Co(2), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Tm(1), three equivalent Tm(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlTm6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Tm6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Tm6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Tm6Al6 cuboctahedra, and faces with six equivalent Al(2)Tm6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Tm(2), four equivalent Tm(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlTm6Al4Co2 cuboctahedra that share corners with four equivalent Al(1)Tm6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Co2 cuboctahedra, edges with two equivalent Al(2)Tm6Al4Co2 cuboctahedra, faces with four equivalent Co(1)Tm6Al6 cuboctahedra, faces with four equivalent Al(2)Tm6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Tm6Al2Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.296
_cell_length_c   8.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.095
_symmetry_Int_Tables_number   1
_cell_volume   205.299
_cell_formula_units_Z   4
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  0.334  0.666  0.203  1.0
  Tm  Tm1  1  0.670  0.330  0.325  1.0
  Tm  Tm2  1  0.670  0.330  0.675  1.0
  Tm  Tm3  1  0.334  0.666  0.797  1.0
  Al  Al4  1  0.996  0.004  0.271  1.0
  Al  Al5  1  0.996  0.004  0.729  1.0
  Al  Al6  1  0.834  0.660  0.000  1.0
  Al  Al7  1  0.340  0.166  0.000  1.0
  Co  Co8  1  0.833  0.167  0.000  1.0
  Co  Co9  1  0.175  0.357  0.500  1.0
  Co  Co10  1  0.643  0.825  0.500  1.0
  Co  Co11  1  0.174  0.826  0.500  1.0
[/CIF]
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The compound described by TmCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 12-coordinate geometry to three equivalent Tm(2), one Co(3), two equivalent Co(1), two equivalent Co(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Tm site, Tm(2) is bonded in a 16-coordinate geometry to one Tm(2), three equivalent Tm(1), one Co(1), two equivalent Co(3), four equivalent Co(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Tm(2), four equivalent Tm(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoTm6Al6 cuboctahedra that share corners with four equivalent Co(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(1)Tm6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Tm6Al6 cuboctahedra, faces with six equivalent Al(1)Tm6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Tm6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Tm(1), four equivalent Tm(2), four equivalent Co(2), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Tm(1), three equivalent Tm(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlTm6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Tm6Al6 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Tm6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Tm6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Tm6Al6 cuboctahedra, and faces with six equivalent Al(2)Tm6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Tm(2), four equivalent Tm(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlTm6Al4Co2 cuboctahedra that share corners with four equivalent Al(1)Tm6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Tm6Al4Co2 cuboctahedra, edges with two equivalent Al(2)Tm6Al4Co2 cuboctahedra, faces with four equivalent Co(1)Tm6Al6 cuboctahedra, faces with four equivalent Al(2)Tm6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Tm6Al2Co4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmAlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.296
_cell_length_b   5.296
_cell_length_c   8.378
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.095
_symmetry_Int_Tables_number   1
_cell_volume   205.299
_cell_formula_units_Z   4
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  0.334  0.666  0.203  1.0
  Tm  Tm1  1  0.670  0.330  0.325  1.0
  Tm  Tm2  1  0.670  0.330  0.675  1.0
  Tm  Tm3  1  0.334  0.666  0.797  1.0
  Al  Al4  1  0.996  0.004  0.271  1.0
  Al  Al5  1  0.996  0.004  0.729  1.0
  Al  Al6  1  0.834  0.660  0.000  1.0
  Al  Al7  1  0.340  0.166  0.000  1.0
  Co  Co8  1  0.833  0.167  0.000  1.0
  Co  Co9  1  0.175  0.357  0.500  1.0
  Co  Co10  1  0.643  0.825  0.500  1.0
  Co  Co11  1  0.174  0.826  0.500  1.0
[/CIF]
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