The material structure described by La2NiAl7 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to two equivalent Ni(2), two equivalent Al(6), two equivalent Al(7), two equivalent Al(8), four equivalent Al(3), and four equivalent Al(4) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to two equivalent Ni(2), two equivalent Al(6), two equivalent Al(7), two equivalent Al(8), four equivalent Al(3), and four equivalent Al(4) atoms. In the third La site, La(3) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Al(1), two equivalent Al(2), two equivalent Al(5), four equivalent Al(3), and four equivalent Al(4) atoms. In the fourth La site, La(4) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Al(1), two equivalent Al(2), two equivalent Al(5), four equivalent Al(3), and four equivalent Al(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent La(3), two equivalent La(4), one Al(1), and four equivalent Al(3) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), one Al(7), and four equivalent Al(4) atoms. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to two equivalent La(3), two equivalent La(4), and one Ni(1) atom. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent La(3), two equivalent La(4), one Al(5), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one La(1), one La(2), one La(3), one La(4), one Ni(1), one Al(2), and one Al(8) atom. In the fourth Al site, Al(4) is bonded in a distorted single-bond geometry to one La(1), one La(2), one La(3), one La(4), one Ni(2), one Al(5), and one Al(6) atom. In the fifth Al site, Al(5) is bonded in a 9-coordinate geometry to two equivalent La(3), two equivalent La(4), one Al(2), and four equivalent Al(4) atoms. In the sixth Al site, Al(6) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), one Al(8), and four equivalent Al(4) atoms. In the seventh Al site, Al(7) is bonded in a distorted single-bond geometry to two equivalent La(1), two equivalent La(2), and one Ni(2) atom. In the eighth Al site, Al(8) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), one Al(6), and four equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_La2Al7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.135
_cell_length_b   6.143
_cell_length_c   11.574
_cell_angle_alpha   74.610
_cell_angle_beta   74.630
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.392
_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
  La  La0  1  0.996  0.996  0.007  1.0
  La  La1  1  0.500  0.500  0.001  1.0
  La  La2  1  0.749  0.249  0.503  1.0
  La  La3  1  0.247  0.747  0.506  1.0
  Al  Al4  1  0.204  0.204  0.591  1.0
  Al  Al5  1  0.811  0.811  0.379  1.0
  Al  Al6  1  0.603  0.131  0.255  1.0
  Al  Al7  1  0.142  0.613  0.255  1.0
  Al  Al8  1  0.603  0.613  0.255  1.0
  Al  Al9  1  0.142  0.131  0.255  1.0
  Al  Al10  1  0.865  0.350  0.755  1.0
  Al  Al11  1  0.381  0.895  0.755  1.0
  Al  Al12  1  0.865  0.895  0.755  1.0
  Al  Al13  1  0.381  0.350  0.755  1.0
  Al  Al14  1  0.692  0.692  0.616  1.0
  Al  Al15  1  0.062  0.562  0.876  1.0
  Al  Al16  1  0.454  0.954  0.092  1.0
  Al  Al17  1  0.943  0.443  0.114  1.0
  Ni  Ni18  1  0.314  0.314  0.371  1.0
  Ni  Ni19  1  0.564  0.064  0.873  1.0
[/CIF]
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The material structure described by La2NiAl7 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 16-coordinate geometry to two equivalent Ni(2), two equivalent Al(6), two equivalent Al(7), two equivalent Al(8), four equivalent Al(3), and four equivalent Al(4) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to two equivalent Ni(2), two equivalent Al(6), two equivalent Al(7), two equivalent Al(8), four equivalent Al(3), and four equivalent Al(4) atoms. In the third La site, La(3) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Al(1), two equivalent Al(2), two equivalent Al(5), four equivalent Al(3), and four equivalent Al(4) atoms. In the fourth La site, La(4) is bonded in a 16-coordinate geometry to two equivalent Ni(1), two equivalent Al(1), two equivalent Al(2), two equivalent Al(5), four equivalent Al(3), and four equivalent Al(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent La(3), two equivalent La(4), one Al(1), and four equivalent Al(3) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), one Al(7), and four equivalent Al(4) atoms. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to two equivalent La(3), two equivalent La(4), and one Ni(1) atom. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent La(3), two equivalent La(4), one Al(5), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one La(1), one La(2), one La(3), one La(4), one Ni(1), one Al(2), and one Al(8) atom. In the fourth Al site, Al(4) is bonded in a distorted single-bond geometry to one La(1), one La(2), one La(3), one La(4), one Ni(2), one Al(5), and one Al(6) atom. In the fifth Al site, Al(5) is bonded in a 9-coordinate geometry to two equivalent La(3), two equivalent La(4), one Al(2), and four equivalent Al(4) atoms. In the sixth Al site, Al(6) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), one Al(8), and four equivalent Al(4) atoms. In the seventh Al site, Al(7) is bonded in a distorted single-bond geometry to two equivalent La(1), two equivalent La(2), and one Ni(2) atom. In the eighth Al site, Al(8) is bonded in a 9-coordinate geometry to two equivalent La(1), two equivalent La(2), one Al(6), and four equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_La2Al7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.135
_cell_length_b   6.143
_cell_length_c   11.574
_cell_angle_alpha   74.610
_cell_angle_beta   74.630
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.392
_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
  La  La0  1  0.996  0.996  0.007  1.0
  La  La1  1  0.500  0.500  0.001  1.0
  La  La2  1  0.749  0.249  0.503  1.0
  La  La3  1  0.247  0.747  0.506  1.0
  Al  Al4  1  0.204  0.204  0.591  1.0
  Al  Al5  1  0.811  0.811  0.379  1.0
  Al  Al6  1  0.603  0.131  0.255  1.0
  Al  Al7  1  0.142  0.613  0.255  1.0
  Al  Al8  1  0.603  0.613  0.255  1.0
  Al  Al9  1  0.142  0.131  0.255  1.0
  Al  Al10  1  0.865  0.350  0.755  1.0
  Al  Al11  1  0.381  0.895  0.755  1.0
  Al  Al12  1  0.865  0.895  0.755  1.0
  Al  Al13  1  0.381  0.350  0.755  1.0
  Al  Al14  1  0.692  0.692  0.616  1.0
  Al  Al15  1  0.062  0.562  0.876  1.0
  Al  Al16  1  0.454  0.954  0.092  1.0
  Al  Al17  1  0.943  0.443  0.114  1.0
  Ni  Ni18  1  0.314  0.314  0.371  1.0
  Ni  Ni19  1  0.564  0.064  0.873  1.0
[/CIF]
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