The structure described by LaNiAl crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 11-coordinate geometry to two equivalent Ni(2), three equivalent Ni(1), three equivalent Al(1), and three equivalent Al(2) atoms. In the second La site, La(2) is bonded in a 5-coordinate geometry to one Ni(1), four equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one La(2), three equivalent La(1), two equivalent Al(1), and three equivalent Al(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Al(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 La(1), four equivalent La(2), two equivalent Ni(1), two equivalent Ni(2), and one Al(2) atom to form distorted AlLa7AlNi4 cuboctahedra that share corners with four equivalent Al(1)La7AlNi4 cuboctahedra, corners with seven equivalent Al(2)La3AlNi4 tetrahedra, edges with two equivalent Al(1)La7AlNi4 cuboctahedra, edges with two equivalent Al(2)La3AlNi4 tetrahedra, faces with four equivalent Al(1)La7AlNi4 cuboctahedra, and faces with two equivalent Al(2)La3AlNi4 tetrahedra. In the second Al site, Al(2) is bonded to three equivalent La(1), one Ni(2), three equivalent Ni(1), and one Al(1) atom to form distorted AlLa3AlNi4 tetrahedra that share corners with seven equivalent Al(1)La7AlNi4 cuboctahedra, edges with two equivalent Al(1)La7AlNi4 cuboctahedra, edges with two equivalent Al(2)La3AlNi4 tetrahedra, faces with two equivalent Al(1)La7AlNi4 cuboctahedra, and faces with two equivalent Al(2)La3AlNi4 tetrahedra. is represented by the CIF file [CIF]
data_LaAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.196
_cell_length_b   7.160
_cell_length_c   15.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.120
_cell_formula_units_Z   8
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
  La  La0  1  0.750  0.856  0.939  1.0
  La  La1  1  0.250  0.144  0.061  1.0
  La  La2  1  0.250  0.644  0.439  1.0
  La  La3  1  0.750  0.356  0.561  1.0
  La  La4  1  0.750  0.988  0.723  1.0
  La  La5  1  0.250  0.012  0.277  1.0
  La  La6  1  0.250  0.512  0.223  1.0
  La  La7  1  0.750  0.488  0.777  1.0
  Al  Al8  1  0.750  0.827  0.145  1.0
  Al  Al9  1  0.250  0.173  0.855  1.0
  Al  Al10  1  0.250  0.673  0.645  1.0
  Al  Al11  1  0.750  0.327  0.355  1.0
  Al  Al12  1  0.750  0.991  0.440  1.0
  Al  Al13  1  0.250  0.009  0.560  1.0
  Al  Al14  1  0.250  0.509  0.940  1.0
  Al  Al15  1  0.750  0.491  0.060  1.0
  Ni  Ni16  1  0.750  0.800  0.573  1.0
  Ni  Ni17  1  0.250  0.200  0.427  1.0
  Ni  Ni18  1  0.250  0.700  0.073  1.0
  Ni  Ni19  1  0.750  0.300  0.927  1.0
  Ni  Ni20  1  0.750  0.730  0.320  1.0
  Ni  Ni21  1  0.250  0.270  0.680  1.0
  Ni  Ni22  1  0.250  0.770  0.820  1.0
  Ni  Ni23  1  0.750  0.230  0.180  1.0
[/CIF]
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The structure described by LaNiAl crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 11-coordinate geometry to two equivalent Ni(2), three equivalent Ni(1), three equivalent Al(1), and three equivalent Al(2) atoms. In the second La site, La(2) is bonded in a 5-coordinate geometry to one Ni(1), four equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one La(2), three equivalent La(1), two equivalent Al(1), and three equivalent Al(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), one Al(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 La(1), four equivalent La(2), two equivalent Ni(1), two equivalent Ni(2), and one Al(2) atom to form distorted AlLa7AlNi4 cuboctahedra that share corners with four equivalent Al(1)La7AlNi4 cuboctahedra, corners with seven equivalent Al(2)La3AlNi4 tetrahedra, edges with two equivalent Al(1)La7AlNi4 cuboctahedra, edges with two equivalent Al(2)La3AlNi4 tetrahedra, faces with four equivalent Al(1)La7AlNi4 cuboctahedra, and faces with two equivalent Al(2)La3AlNi4 tetrahedra. In the second Al site, Al(2) is bonded to three equivalent La(1), one Ni(2), three equivalent Ni(1), and one Al(1) atom to form distorted AlLa3AlNi4 tetrahedra that share corners with seven equivalent Al(1)La7AlNi4 cuboctahedra, edges with two equivalent Al(1)La7AlNi4 cuboctahedra, edges with two equivalent Al(2)La3AlNi4 tetrahedra, faces with two equivalent Al(1)La7AlNi4 cuboctahedra, and faces with two equivalent Al(2)La3AlNi4 tetrahedra. is represented by the CIF file [CIF]
data_LaAlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.196
_cell_length_b   7.160
_cell_length_c   15.881
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.120
_cell_formula_units_Z   8
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
  La  La0  1  0.750  0.856  0.939  1.0
  La  La1  1  0.250  0.144  0.061  1.0
  La  La2  1  0.250  0.644  0.439  1.0
  La  La3  1  0.750  0.356  0.561  1.0
  La  La4  1  0.750  0.988  0.723  1.0
  La  La5  1  0.250  0.012  0.277  1.0
  La  La6  1  0.250  0.512  0.223  1.0
  La  La7  1  0.750  0.488  0.777  1.0
  Al  Al8  1  0.750  0.827  0.145  1.0
  Al  Al9  1  0.250  0.173  0.855  1.0
  Al  Al10  1  0.250  0.673  0.645  1.0
  Al  Al11  1  0.750  0.327  0.355  1.0
  Al  Al12  1  0.750  0.991  0.440  1.0
  Al  Al13  1  0.250  0.009  0.560  1.0
  Al  Al14  1  0.250  0.509  0.940  1.0
  Al  Al15  1  0.750  0.491  0.060  1.0
  Ni  Ni16  1  0.750  0.800  0.573  1.0
  Ni  Ni17  1  0.250  0.200  0.427  1.0
  Ni  Ni18  1  0.250  0.700  0.073  1.0
  Ni  Ni19  1  0.750  0.300  0.927  1.0
  Ni  Ni20  1  0.750  0.730  0.320  1.0
  Ni  Ni21  1  0.250  0.270  0.680  1.0
  Ni  Ni22  1  0.250  0.770  0.820  1.0
  Ni  Ni23  1  0.750  0.230  0.180  1.0
[/CIF]
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