The material structure described by Nd4Ni7In8 is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 2-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), two equivalent In(4), and four equivalent In(6) atoms. In the second Nd site, Nd(2) is bonded in a 13-coordinate geometry to one Ni(4), two equivalent Ni(1), one In(2), one In(7), two equivalent In(1), two equivalent In(6), and four equivalent In(3) atoms. In the third Nd site, Nd(3) is bonded in a 18-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), four equivalent Ni(4), two equivalent In(3), two equivalent In(5), two equivalent In(6), and two equivalent In(7) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Nd(3), four equivalent Ni(2), two equivalent In(5), and two equivalent In(6) atoms. In the second Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), one Ni(2), one In(7), two equivalent In(3), and two equivalent In(6) atoms. In the third Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Ni(1), one In(1), one In(4), one In(6), and two equivalent In(2) atoms. In the fourth Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Nd(1), two equivalent Nd(3), one Ni(2), one Ni(4), two equivalent Ni(3), one In(5), and two equivalent In(6) atoms. There are seven inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to four equivalent Nd(2), two equivalent Ni(1), two equivalent In(2), two equivalent In(3), and two equivalent In(7) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent Nd(2), four equivalent Ni(1), two equivalent In(1), and two equivalent In(4) atoms. In the third In site, In(3) is bonded in a 12-coordinate geometry to one Nd(3), four equivalent Nd(2), two equivalent Ni(4), one In(1), one In(3), one In(6), and two equivalent In(7) atoms. In the fourth In site, In(4) is bonded to four equivalent Nd(1), four equivalent Ni(1), and four equivalent In(2) atoms to form distorted face-sharing InNd4In4Ni4 cuboctahedra. In the fifth In site, In(5) is bonded to four equivalent Nd(3), four equivalent Ni(2), and four equivalent Ni(3) atoms to form distorted face-sharing InNd4Ni8 cuboctahedra. In the sixth In site, In(6) is bonded in a 12-coordinate geometry to one Nd(3), two equivalent Nd(1), two equivalent Nd(2), one Ni(1), one Ni(3), two equivalent Ni(2), two equivalent Ni(4), and one In(3) atom. In the seventh In site, In(7) is bonded in a distorted water-like geometry to two equivalent Nd(2), two equivalent Nd(3), two equivalent Ni(4), two equivalent In(1), and four equivalent In(3) atoms. is represented by the CIF file [CIF]
data_Nd4In8Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.345
_cell_length_b   14.136
_cell_length_c   14.136
_cell_angle_alpha   117.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.128
_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
  Nd  Nd0  1  0.000  0.816  0.816  1.0
  Nd  Nd1  1  0.000  0.184  0.184  1.0
  Nd  Nd2  1  0.000  0.005  0.652  1.0
  Nd  Nd3  1  0.000  0.995  0.348  1.0
  Nd  Nd4  1  0.000  0.652  0.005  1.0
  Nd  Nd5  1  0.000  0.348  0.995  1.0
  Nd  Nd6  1  0.500  0.606  0.394  1.0
  Nd  Nd7  1  0.500  0.394  0.606  1.0
  In  In8  1  0.500  0.189  0.811  1.0
  In  In9  1  0.500  0.811  0.189  1.0
  In  In10  1  0.000  0.087  0.913  1.0
  In  In11  1  0.000  0.913  0.087  1.0
  In  In12  1  0.500  0.557  0.125  1.0
  In  In13  1  0.500  0.443  0.875  1.0
  In  In14  1  0.500  0.125  0.557  1.0
  In  In15  1  0.500  0.875  0.443  1.0
  In  In16  1  0.500  0.000  0.000  1.0
  In  In17  1  0.000  0.500  0.500  1.0
  In  In18  1  0.500  0.181  0.369  1.0
  In  In19  1  0.500  0.819  0.631  1.0
  In  In20  1  0.500  0.369  0.181  1.0
  In  In21  1  0.500  0.631  0.819  1.0
  In  In22  1  0.000  0.723  0.277  1.0
  In  In23  1  0.000  0.277  0.723  1.0
  Ni  Ni24  1  0.500  0.998  0.809  1.0
  Ni  Ni25  1  0.500  0.002  0.191  1.0
  Ni  Ni26  1  0.500  0.809  0.998  1.0
  Ni  Ni27  1  0.500  0.191  0.002  1.0
  Ni  Ni28  1  0.000  0.411  0.302  1.0
  Ni  Ni29  1  0.000  0.589  0.698  1.0
  Ni  Ni30  1  0.000  0.302  0.411  1.0
  Ni  Ni31  1  0.000  0.698  0.589  1.0
  Ni  Ni32  1  0.500  0.378  0.378  1.0
  Ni  Ni33  1  0.500  0.622  0.622  1.0
  Ni  Ni34  1  0.000  0.208  0.516  1.0
  Ni  Ni35  1  0.000  0.792  0.484  1.0
  Ni  Ni36  1  0.000  0.516  0.208  1.0
  Ni  Ni37  1  0.000  0.484  0.792  1.0
[/CIF]
.
The material structure described by Nd4Ni7In8 is beta Plutonium-derived structured and crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 2-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), two equivalent In(4), and four equivalent In(6) atoms. In the second Nd site, Nd(2) is bonded in a 13-coordinate geometry to one Ni(4), two equivalent Ni(1), one In(2), one In(7), two equivalent In(1), two equivalent In(6), and four equivalent In(3) atoms. In the third Nd site, Nd(3) is bonded in a 18-coordinate geometry to two equivalent Ni(3), four equivalent Ni(2), four equivalent Ni(4), two equivalent In(3), two equivalent In(5), two equivalent In(6), and two equivalent In(7) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a 10-coordinate geometry to two equivalent Nd(3), four equivalent Ni(2), two equivalent In(5), and two equivalent In(6) atoms. In the second Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(3), one Ni(2), one In(7), two equivalent In(3), and two equivalent In(6) atoms. In the third Ni site, Ni(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Ni(1), one In(1), one In(4), one In(6), and two equivalent In(2) atoms. In the fourth Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Nd(1), two equivalent Nd(3), one Ni(2), one Ni(4), two equivalent Ni(3), one In(5), and two equivalent In(6) atoms. There are seven inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to four equivalent Nd(2), two equivalent Ni(1), two equivalent In(2), two equivalent In(3), and two equivalent In(7) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent Nd(2), four equivalent Ni(1), two equivalent In(1), and two equivalent In(4) atoms. In the third In site, In(3) is bonded in a 12-coordinate geometry to one Nd(3), four equivalent Nd(2), two equivalent Ni(4), one In(1), one In(3), one In(6), and two equivalent In(7) atoms. In the fourth In site, In(4) is bonded to four equivalent Nd(1), four equivalent Ni(1), and four equivalent In(2) atoms to form distorted face-sharing InNd4In4Ni4 cuboctahedra. In the fifth In site, In(5) is bonded to four equivalent Nd(3), four equivalent Ni(2), and four equivalent Ni(3) atoms to form distorted face-sharing InNd4Ni8 cuboctahedra. In the sixth In site, In(6) is bonded in a 12-coordinate geometry to one Nd(3), two equivalent Nd(1), two equivalent Nd(2), one Ni(1), one Ni(3), two equivalent Ni(2), two equivalent Ni(4), and one In(3) atom. In the seventh In site, In(7) is bonded in a distorted water-like geometry to two equivalent Nd(2), two equivalent Nd(3), two equivalent Ni(4), two equivalent In(1), and four equivalent In(3) atoms. is represented by the CIF file [CIF]
data_Nd4In8Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.345
_cell_length_b   14.136
_cell_length_c   14.136
_cell_angle_alpha   117.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.128
_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
  Nd  Nd0  1  0.000  0.816  0.816  1.0
  Nd  Nd1  1  0.000  0.184  0.184  1.0
  Nd  Nd2  1  0.000  0.005  0.652  1.0
  Nd  Nd3  1  0.000  0.995  0.348  1.0
  Nd  Nd4  1  0.000  0.652  0.005  1.0
  Nd  Nd5  1  0.000  0.348  0.995  1.0
  Nd  Nd6  1  0.500  0.606  0.394  1.0
  Nd  Nd7  1  0.500  0.394  0.606  1.0
  In  In8  1  0.500  0.189  0.811  1.0
  In  In9  1  0.500  0.811  0.189  1.0
  In  In10  1  0.000  0.087  0.913  1.0
  In  In11  1  0.000  0.913  0.087  1.0
  In  In12  1  0.500  0.557  0.125  1.0
  In  In13  1  0.500  0.443  0.875  1.0
  In  In14  1  0.500  0.125  0.557  1.0
  In  In15  1  0.500  0.875  0.443  1.0
  In  In16  1  0.500  0.000  0.000  1.0
  In  In17  1  0.000  0.500  0.500  1.0
  In  In18  1  0.500  0.181  0.369  1.0
  In  In19  1  0.500  0.819  0.631  1.0
  In  In20  1  0.500  0.369  0.181  1.0
  In  In21  1  0.500  0.631  0.819  1.0
  In  In22  1  0.000  0.723  0.277  1.0
  In  In23  1  0.000  0.277  0.723  1.0
  Ni  Ni24  1  0.500  0.998  0.809  1.0
  Ni  Ni25  1  0.500  0.002  0.191  1.0
  Ni  Ni26  1  0.500  0.809  0.998  1.0
  Ni  Ni27  1  0.500  0.191  0.002  1.0
  Ni  Ni28  1  0.000  0.411  0.302  1.0
  Ni  Ni29  1  0.000  0.589  0.698  1.0
  Ni  Ni30  1  0.000  0.302  0.411  1.0
  Ni  Ni31  1  0.000  0.698  0.589  1.0
  Ni  Ni32  1  0.500  0.378  0.378  1.0
  Ni  Ni33  1  0.500  0.622  0.622  1.0
  Ni  Ni34  1  0.000  0.208  0.516  1.0
  Ni  Ni35  1  0.000  0.792  0.484  1.0
  Ni  Ni36  1  0.000  0.516  0.208  1.0
  Ni  Ni37  1  0.000  0.484  0.792  1.0
[/CIF]
.