The crystal structure described by SmNiAl4 crystallizes in the orthorhombic Cmcm space group. Sm(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 Sm(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 10-coordinate geometry to four equivalent Sm(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 Sm(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 Sm(1), three equivalent Ni(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_SmAl4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.084
_cell_length_b   6.555
_cell_length_c   8.061
_cell_angle_alpha   90.000
_cell_angle_beta   104.675
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.796
_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  0.385  0.750  0.770  1.0
  Sm  Sm1  1  0.615  0.250  0.230  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Al  Al4  1  0.579  0.750  0.157  1.0
  Al  Al5  1  0.421  0.250  0.843  1.0
  Al  Al6  1  0.809  0.053  0.618  1.0
  Al  Al7  1  0.191  0.947  0.382  1.0
  Al  Al8  1  0.191  0.553  0.382  1.0
  Al  Al9  1  0.809  0.447  0.618  1.0
  Ni  Ni10  1  0.725  0.750  0.451  1.0
  Ni  Ni11  1  0.275  0.250  0.549  1.0
[/CIF]
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The crystal structure described by SmNiAl4 crystallizes in the orthorhombic Cmcm space group. Sm(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 Sm(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 10-coordinate geometry to four equivalent Sm(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 Sm(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 Sm(1), three equivalent Ni(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_SmAl4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.084
_cell_length_b   6.555
_cell_length_c   8.061
_cell_angle_alpha   90.000
_cell_angle_beta   104.675
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.796
_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  0.385  0.750  0.770  1.0
  Sm  Sm1  1  0.615  0.250  0.230  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  Al  Al4  1  0.579  0.750  0.157  1.0
  Al  Al5  1  0.421  0.250  0.843  1.0
  Al  Al6  1  0.809  0.053  0.618  1.0
  Al  Al7  1  0.191  0.947  0.382  1.0
  Al  Al8  1  0.191  0.553  0.382  1.0
  Al  Al9  1  0.809  0.447  0.618  1.0
  Ni  Ni10  1  0.725  0.750  0.451  1.0
  Ni  Ni11  1  0.275  0.250  0.549  1.0
[/CIF]
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