The structure described by Nd2Ni7 crystallizes in the trigonal R-3m space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the second Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the third Nd site, Nd(2) is bonded in a 12-coordinate geometry to three equivalent Ni(1) and nine equivalent Ni(5) atoms. In the fourth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the fifth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the sixth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four equivalent Ni(4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra, corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra, faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra, and faces with eight equivalent Ni(4)Nd4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to six equivalent Nd(2) 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 third Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ni(4,4); and three equivalent Ni(5) atoms. In the fourth Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four Ni(4,4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra; corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra; edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra; edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra; faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra; and faces with eight Ni(4,4)Nd4Ni8 cuboctahedra. In the fifth Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ni(4,4); and three equivalent Ni(5) atoms. In the sixth Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four equivalent Ni(4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra, corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra, faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra, and faces with eight equivalent Ni(4)Nd4Ni8 cuboctahedra. In the seventh Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four Ni(4,4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra; corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra; edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra; edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra; faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra; and faces with eight Ni(4,4)Nd4Ni8 cuboctahedra. In the eighth Ni site, Ni(5) is bonded to two equivalent Nd(1), three equivalent Nd(2), one Ni(1), one Ni(2), one Ni(3), and four equivalent Ni(5) atoms to form distorted NiNd5Ni7 cuboctahedra that share corners with two equivalent Ni(1)Nd6Ni6 cuboctahedra; corners with six Ni(4,4)Nd4Ni8 cuboctahedra; corners with nine equivalent Ni(5)Nd5Ni7 cuboctahedra; edges with four Ni(4,4)Nd4Ni8 cuboctahedra; edges with four equivalent Ni(5)Nd5Ni7 cuboctahedra;  a faceface with one Ni(4)Nd4Ni8 cuboctahedra; faces with three equivalent Ni(1)Nd6Ni6 cuboctahedra; and faces with ten equivalent Ni(5)Nd5Ni7 cuboctahedra. is represented by the CIF card [CIF]
data_Nd2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.035
_cell_length_b   5.035
_cell_length_c   12.545
_cell_angle_alpha   78.424
_cell_angle_beta   78.424
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   267.909
_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  0.950  0.950  0.151  1.0
  Nd  Nd1  1  0.050  0.050  0.849  1.0
  Nd  Nd2  1  0.853  0.853  0.442  1.0
  Nd  Nd3  1  0.147  0.147  0.558  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.722  0.722  0.835  1.0
  Ni  Ni6  1  0.278  0.278  0.165  1.0
  Ni  Ni7  1  0.612  0.612  0.164  1.0
  Ni  Ni8  1  0.388  0.388  0.836  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  Ni  Ni10  1  0.500  0.000  0.000  1.0
  Ni  Ni11  1  0.500  0.500  0.000  1.0
  Ni  Ni12  1  0.391  0.391  0.326  1.0
  Ni  Ni13  1  0.891  0.391  0.326  1.0
  Ni  Ni14  1  0.391  0.891  0.326  1.0
  Ni  Ni15  1  0.609  0.609  0.674  1.0
  Ni  Ni16  1  0.109  0.609  0.674  1.0
  Ni  Ni17  1  0.609  0.109  0.674  1.0
[/CIF]
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The structure described by Nd2Ni7 crystallizes in the trigonal R-3m space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the second Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the third Nd site, Nd(2) is bonded in a 12-coordinate geometry to three equivalent Ni(1) and nine equivalent Ni(5) atoms. In the fourth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the fifth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. In the sixth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Ni(2); three equivalent Ni(3); six Ni(4,4); and six equivalent Ni(5) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four equivalent Ni(4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra, corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra, faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra, and faces with eight equivalent Ni(4)Nd4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to six equivalent Nd(2) 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 third Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ni(4,4); and three equivalent Ni(5) atoms. In the fourth Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four Ni(4,4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra; corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra; edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra; edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra; faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra; and faces with eight Ni(4,4)Nd4Ni8 cuboctahedra. In the fifth Ni site, Ni(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Ni(4,4); and three equivalent Ni(5) atoms. In the sixth Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four equivalent Ni(4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra, corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra, edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra, faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra, and faces with eight equivalent Ni(4)Nd4Ni8 cuboctahedra. In the seventh Ni site, Ni(4) is bonded to four Nd(1,1); two equivalent Ni(2); two equivalent Ni(3); and four Ni(4,4) atoms to form NiNd4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Nd4Ni8 cuboctahedra; corners with twelve equivalent Ni(5)Nd5Ni7 cuboctahedra; edges with two equivalent Ni(4)Nd4Ni8 cuboctahedra; edges with eight equivalent Ni(5)Nd5Ni7 cuboctahedra; faces with two equivalent Ni(5)Nd5Ni7 cuboctahedra; and faces with eight Ni(4,4)Nd4Ni8 cuboctahedra. In the eighth Ni site, Ni(5) is bonded to two equivalent Nd(1), three equivalent Nd(2), one Ni(1), one Ni(2), one Ni(3), and four equivalent Ni(5) atoms to form distorted NiNd5Ni7 cuboctahedra that share corners with two equivalent Ni(1)Nd6Ni6 cuboctahedra; corners with six Ni(4,4)Nd4Ni8 cuboctahedra; corners with nine equivalent Ni(5)Nd5Ni7 cuboctahedra; edges with four Ni(4,4)Nd4Ni8 cuboctahedra; edges with four equivalent Ni(5)Nd5Ni7 cuboctahedra;  a faceface with one Ni(4)Nd4Ni8 cuboctahedra; faces with three equivalent Ni(1)Nd6Ni6 cuboctahedra; and faces with ten equivalent Ni(5)Nd5Ni7 cuboctahedra. is represented by the CIF card [CIF]
data_Nd2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.035
_cell_length_b   5.035
_cell_length_c   12.545
_cell_angle_alpha   78.424
_cell_angle_beta   78.424
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   267.909
_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  0.950  0.950  0.151  1.0
  Nd  Nd1  1  0.050  0.050  0.849  1.0
  Nd  Nd2  1  0.853  0.853  0.442  1.0
  Nd  Nd3  1  0.147  0.147  0.558  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.722  0.722  0.835  1.0
  Ni  Ni6  1  0.278  0.278  0.165  1.0
  Ni  Ni7  1  0.612  0.612  0.164  1.0
  Ni  Ni8  1  0.388  0.388  0.836  1.0
  Ni  Ni9  1  0.000  0.500  0.000  1.0
  Ni  Ni10  1  0.500  0.000  0.000  1.0
  Ni  Ni11  1  0.500  0.500  0.000  1.0
  Ni  Ni12  1  0.391  0.391  0.326  1.0
  Ni  Ni13  1  0.891  0.391  0.326  1.0
  Ni  Ni14  1  0.391  0.891  0.326  1.0
  Ni  Ni15  1  0.609  0.609  0.674  1.0
  Ni  Ni16  1  0.109  0.609  0.674  1.0
  Ni  Ni17  1  0.609  0.109  0.674  1.0
[/CIF]
.