The structure described by Nd5Ni19 crystallizes in the trigonal R-3m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Ni(3) and twelve equivalent Ni(6) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(4), six equivalent Ni(5), and six equivalent Ni(6) atoms. In the third Nd site, Nd(3) is bonded in a 12-coordinate geometry to three equivalent Ni(1) and nine equivalent Ni(5) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Nd(3) and six equivalent Ni(5) atoms to form NiNd6Ni6 cuboctahedra that share corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with six equivalent Ni(1)Nd6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(5)Nd5Ni7 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2), three equivalent Ni(5), and three equivalent Ni(6) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Ni(6) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to three equivalent Nd(2), three equivalent Ni(5), and three equivalent Ni(6) atoms. In the fifth Ni site, Ni(5) is bonded to two equivalent Nd(2), three equivalent Nd(3), one Ni(1), one Ni(2), one Ni(4), and four equivalent Ni(5) atoms to form distorted NiNd5Ni7 cuboctahedra that share corners with two equivalent Ni(1)Nd6Ni6 cuboctahedra, corners with six equivalent Ni(6)Nd4Ni8 cuboctahedra, corners with nine equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with four equivalent Ni(6)Nd4Ni8 cuboctahedra, edges with four equivalent Ni(5)Nd5Ni7 cuboctahedra,  a faceface with one Ni(6)Nd4Ni8 cuboctahedra, faces with three equivalent Ni(1)Nd6Ni6 cuboctahedra, and faces with ten equivalent Ni(5)Nd5Ni7 cuboctahedra. In the sixth Ni site, Ni(6) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Ni(2), one Ni(4), two equivalent Ni(3), and four equivalent Ni(6) atoms to form NiNd4Ni8 cuboctahedra that share corners with six equivalent Ni(5)Nd5Ni7 cuboctahedra, corners with ten equivalent Ni(6)Nd4Ni8 cuboctahedra, edges with four equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with six equivalent Ni(6)Nd4Ni8 cuboctahedra,  a faceface with one Ni(5)Nd5Ni7 cuboctahedra, and faces with nine equivalent Ni(6)Nd4Ni8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5Ni19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.979
_cell_length_b   4.979
_cell_length_c   16.361
_cell_angle_alpha   81.248
_cell_angle_beta   81.248
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   345.809
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Nd  Nd1  1  0.922  0.922  0.234  1.0
  Nd  Nd2  1  0.078  0.078  0.766  1.0
  Nd  Nd3  1  0.848  0.848  0.455  1.0
  Nd  Nd4  1  0.152  0.152  0.545  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.749  0.749  0.754  1.0
  Ni  Ni7  1  0.251  0.251  0.246  1.0
  Ni  Ni8  1  0.667  0.667  0.000  1.0
  Ni  Ni9  1  0.333  0.333  1.000  1.0
  Ni  Ni10  1  0.585  0.585  0.245  1.0
  Ni  Ni11  1  0.415  0.415  0.755  1.0
  Ni  Ni12  1  0.378  0.378  0.368  1.0
  Ni  Ni13  1  0.877  0.378  0.368  1.0
  Ni  Ni14  1  0.378  0.877  0.368  1.0
  Ni  Ni15  1  0.622  0.622  0.632  1.0
  Ni  Ni16  1  0.123  0.622  0.632  1.0
  Ni  Ni17  1  0.622  0.123  0.632  1.0
  Ni  Ni18  1  0.459  0.459  0.122  1.0
  Ni  Ni19  1  0.960  0.459  0.122  1.0
  Ni  Ni20  1  0.459  0.960  0.122  1.0
  Ni  Ni21  1  0.541  0.541  0.878  1.0
  Ni  Ni22  1  0.040  0.541  0.878  1.0
  Ni  Ni23  1  0.541  0.040  0.878  1.0
[/CIF]
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The structure described by Nd5Ni19 crystallizes in the trigonal R-3m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Ni(3) and twelve equivalent Ni(6) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to three equivalent Ni(2), three equivalent Ni(4), six equivalent Ni(5), and six equivalent Ni(6) atoms. In the third Nd site, Nd(3) is bonded in a 12-coordinate geometry to three equivalent Ni(1) and nine equivalent Ni(5) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Nd(3) and six equivalent Ni(5) atoms to form NiNd6Ni6 cuboctahedra that share corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with six equivalent Ni(1)Nd6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(5)Nd5Ni7 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2), three equivalent Ni(5), and three equivalent Ni(6) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Ni(6) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to three equivalent Nd(2), three equivalent Ni(5), and three equivalent Ni(6) atoms. In the fifth Ni site, Ni(5) is bonded to two equivalent Nd(2), three equivalent Nd(3), one Ni(1), one Ni(2), one Ni(4), and four equivalent Ni(5) atoms to form distorted NiNd5Ni7 cuboctahedra that share corners with two equivalent Ni(1)Nd6Ni6 cuboctahedra, corners with six equivalent Ni(6)Nd4Ni8 cuboctahedra, corners with nine equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with four equivalent Ni(6)Nd4Ni8 cuboctahedra, edges with four equivalent Ni(5)Nd5Ni7 cuboctahedra,  a faceface with one Ni(6)Nd4Ni8 cuboctahedra, faces with three equivalent Ni(1)Nd6Ni6 cuboctahedra, and faces with ten equivalent Ni(5)Nd5Ni7 cuboctahedra. In the sixth Ni site, Ni(6) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Ni(2), one Ni(4), two equivalent Ni(3), and four equivalent Ni(6) atoms to form NiNd4Ni8 cuboctahedra that share corners with six equivalent Ni(5)Nd5Ni7 cuboctahedra, corners with ten equivalent Ni(6)Nd4Ni8 cuboctahedra, edges with four equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with six equivalent Ni(6)Nd4Ni8 cuboctahedra,  a faceface with one Ni(5)Nd5Ni7 cuboctahedra, and faces with nine equivalent Ni(6)Nd4Ni8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd5Ni19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.979
_cell_length_b   4.979
_cell_length_c   16.361
_cell_angle_alpha   81.248
_cell_angle_beta   81.248
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   345.809
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Nd  Nd1  1  0.922  0.922  0.234  1.0
  Nd  Nd2  1  0.078  0.078  0.766  1.0
  Nd  Nd3  1  0.848  0.848  0.455  1.0
  Nd  Nd4  1  0.152  0.152  0.545  1.0
  Ni  Ni5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.749  0.749  0.754  1.0
  Ni  Ni7  1  0.251  0.251  0.246  1.0
  Ni  Ni8  1  0.667  0.667  0.000  1.0
  Ni  Ni9  1  0.333  0.333  1.000  1.0
  Ni  Ni10  1  0.585  0.585  0.245  1.0
  Ni  Ni11  1  0.415  0.415  0.755  1.0
  Ni  Ni12  1  0.378  0.378  0.368  1.0
  Ni  Ni13  1  0.877  0.378  0.368  1.0
  Ni  Ni14  1  0.378  0.877  0.368  1.0
  Ni  Ni15  1  0.622  0.622  0.632  1.0
  Ni  Ni16  1  0.123  0.622  0.632  1.0
  Ni  Ni17  1  0.622  0.123  0.632  1.0
  Ni  Ni18  1  0.459  0.459  0.122  1.0
  Ni  Ni19  1  0.960  0.459  0.122  1.0
  Ni  Ni20  1  0.459  0.960  0.122  1.0
  Ni  Ni21  1  0.541  0.541  0.878  1.0
  Ni  Ni22  1  0.040  0.541  0.878  1.0
  Ni  Ni23  1  0.541  0.040  0.878  1.0
[/CIF]
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