The material structure described by TmNiAl4 crystallizes in the orthorhombic Cmcm space group. Tm(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Tm(1), one Al(2), and six equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to four equivalent Tm(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to three equivalent Tm(1), one Ni(1), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Tm(1), three equivalent Ni(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_TmAl4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   6.550
_cell_length_c   7.847
_cell_angle_alpha   90.000
_cell_angle_beta   104.843
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.748
_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
  Tm  Tm0  1  0.880  0.250  0.761  1.0
  Tm  Tm1  1  0.120  0.750  0.239  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.075  0.250  0.151  1.0
  Al  Al5  1  0.925  0.750  0.849  1.0
  Al  Al6  1  0.688  0.053  0.376  1.0
  Al  Al7  1  0.312  0.947  0.624  1.0
  Al  Al8  1  0.312  0.553  0.624  1.0
  Al  Al9  1  0.688  0.447  0.376  1.0
  Ni  Ni10  1  0.227  0.250  0.453  1.0
  Ni  Ni11  1  0.773  0.750  0.547  1.0
[/CIF]
.
The material structure described by TmNiAl4 crystallizes in the orthorhombic Cmcm space group. Tm(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Tm(1), one Al(2), and six equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to four equivalent Tm(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to three equivalent Tm(1), one Ni(1), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Tm(1), three equivalent Ni(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_TmAl4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   6.550
_cell_length_c   7.847
_cell_angle_alpha   90.000
_cell_angle_beta   104.843
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.748
_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
  Tm  Tm0  1  0.880  0.250  0.761  1.0
  Tm  Tm1  1  0.120  0.750  0.239  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.075  0.250  0.151  1.0
  Al  Al5  1  0.925  0.750  0.849  1.0
  Al  Al6  1  0.688  0.053  0.376  1.0
  Al  Al7  1  0.312  0.947  0.624  1.0
  Al  Al8  1  0.312  0.553  0.624  1.0
  Al  Al9  1  0.688  0.447  0.376  1.0
  Ni  Ni10  1  0.227  0.250  0.453  1.0
  Ni  Ni11  1  0.773  0.750  0.547  1.0
[/CIF]
.