The material described by Nd2Co7 crystallizes in the trigonal R-3m space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2); three equivalent Co(3); six Co(4,4,4); and six equivalent Co(5) atoms. In the second Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2), three equivalent Co(3), six equivalent Co(4), and six equivalent Co(5) atoms. In the third Nd site, Nd(2) is bonded in a 12-coordinate geometry to three equivalent Co(1) and nine equivalent Co(5) atoms. In the fourth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2), three equivalent Co(3), six equivalent Co(4), and six equivalent Co(5) atoms. In the fifth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2); three equivalent Co(3); six Co(4,4); and six equivalent Co(5) atoms. There are eight inequivalent Co sites. In the first Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four equivalent Co(4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra, corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra, edges with two equivalent Co(4)Nd4Co8 cuboctahedra, edges with eight equivalent Co(5)Nd5Co7 cuboctahedra, faces with two equivalent Co(5)Nd5Co7 cuboctahedra, and faces with eight equivalent Co(4)Nd4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to six equivalent Nd(2) and six equivalent Co(5) atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra, edges with six equivalent Co(1)Nd6Co6 cuboctahedra, and faces with eighteen equivalent Co(5)Nd5Co7 cuboctahedra. In the third Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Co(4), and three equivalent Co(5) atoms. In the fourth Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four Co(4,4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra; corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra; edges with two equivalent Co(4)Nd4Co8 cuboctahedra; edges with eight equivalent Co(5)Nd5Co7 cuboctahedra; faces with two equivalent Co(5)Nd5Co7 cuboctahedra; and faces with eight Co(4,4)Nd4Co8 cuboctahedra. In the fifth Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Co(4,4,4); and three equivalent Co(5) atoms. In the sixth Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four equivalent Co(4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra, corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra, edges with two equivalent Co(4)Nd4Co8 cuboctahedra, edges with eight equivalent Co(5)Nd5Co7 cuboctahedra, faces with two equivalent Co(5)Nd5Co7 cuboctahedra, and faces with eight equivalent Co(4)Nd4Co8 cuboctahedra. In the seventh Co site, Co(5) is bonded to two equivalent Nd(1), three equivalent Nd(2), one Co(1), one Co(2), one Co(3), and four equivalent Co(5) atoms to form distorted CoNd5Co7 cuboctahedra that share corners with two equivalent Co(1)Nd6Co6 cuboctahedra; corners with six Co(4,4,4)Nd4Co8 cuboctahedra; corners with nine equivalent Co(5)Nd5Co7 cuboctahedra; edges with four Co(4,4)Nd4Co8 cuboctahedra; edges with four equivalent Co(5)Nd5Co7 cuboctahedra;  a faceface with one Co(4)Nd4Co8 cuboctahedra; faces with three equivalent Co(1)Nd6Co6 cuboctahedra; and faces with ten equivalent Co(5)Nd5Co7 cuboctahedra. In the eighth Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four Co(4,4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra; corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra; edges with two equivalent Co(4)Nd4Co8 cuboctahedra; edges with eight equivalent Co(5)Nd5Co7 cuboctahedra; faces with two equivalent Co(5)Nd5Co7 cuboctahedra; and faces with eight Co(4,4)Nd4Co8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.979
_cell_length_b   4.979
_cell_length_c   12.484
_cell_angle_alpha   78.497
_cell_angle_beta   78.497
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   260.825
_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  0.948  0.948  0.155  1.0
  Nd  Nd1  1  0.052  0.052  0.845  1.0
  Nd  Nd2  1  0.852  0.852  0.445  1.0
  Nd  Nd3  1  0.148  0.148  0.555  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.721  0.721  0.836  1.0
  Co  Co6  1  0.279  0.279  0.164  1.0
  Co  Co7  1  0.612  0.612  0.163  1.0
  Co  Co8  1  0.388  0.388  0.837  1.0
  Co  Co9  1  0.000  0.500  0.000  1.0
  Co  Co10  1  0.500  0.000  0.000  1.0
  Co  Co11  1  0.500  0.500  0.000  1.0
  Co  Co12  1  0.394  0.394  0.323  1.0
  Co  Co13  1  0.889  0.394  0.323  1.0
  Co  Co14  1  0.394  0.889  0.323  1.0
  Co  Co15  1  0.606  0.606  0.677  1.0
  Co  Co16  1  0.111  0.606  0.677  1.0
  Co  Co17  1  0.606  0.111  0.677  1.0
[/CIF]
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The material described by Nd2Co7 crystallizes in the trigonal R-3m space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2); three equivalent Co(3); six Co(4,4,4); and six equivalent Co(5) atoms. In the second Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2), three equivalent Co(3), six equivalent Co(4), and six equivalent Co(5) atoms. In the third Nd site, Nd(2) is bonded in a 12-coordinate geometry to three equivalent Co(1) and nine equivalent Co(5) atoms. In the fourth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2), three equivalent Co(3), six equivalent Co(4), and six equivalent Co(5) atoms. In the fifth Nd site, Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(2); three equivalent Co(3); six Co(4,4); and six equivalent Co(5) atoms. There are eight inequivalent Co sites. In the first Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four equivalent Co(4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra, corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra, edges with two equivalent Co(4)Nd4Co8 cuboctahedra, edges with eight equivalent Co(5)Nd5Co7 cuboctahedra, faces with two equivalent Co(5)Nd5Co7 cuboctahedra, and faces with eight equivalent Co(4)Nd4Co8 cuboctahedra. In the second Co site, Co(1) is bonded to six equivalent Nd(2) and six equivalent Co(5) atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra, edges with six equivalent Co(1)Nd6Co6 cuboctahedra, and faces with eighteen equivalent Co(5)Nd5Co7 cuboctahedra. In the third Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1), three equivalent Co(4), and three equivalent Co(5) atoms. In the fourth Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four Co(4,4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra; corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra; edges with two equivalent Co(4)Nd4Co8 cuboctahedra; edges with eight equivalent Co(5)Nd5Co7 cuboctahedra; faces with two equivalent Co(5)Nd5Co7 cuboctahedra; and faces with eight Co(4,4)Nd4Co8 cuboctahedra. In the fifth Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1); three Co(4,4,4); and three equivalent Co(5) atoms. In the sixth Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four equivalent Co(4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra, corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra, edges with two equivalent Co(4)Nd4Co8 cuboctahedra, edges with eight equivalent Co(5)Nd5Co7 cuboctahedra, faces with two equivalent Co(5)Nd5Co7 cuboctahedra, and faces with eight equivalent Co(4)Nd4Co8 cuboctahedra. In the seventh Co site, Co(5) is bonded to two equivalent Nd(1), three equivalent Nd(2), one Co(1), one Co(2), one Co(3), and four equivalent Co(5) atoms to form distorted CoNd5Co7 cuboctahedra that share corners with two equivalent Co(1)Nd6Co6 cuboctahedra; corners with six Co(4,4,4)Nd4Co8 cuboctahedra; corners with nine equivalent Co(5)Nd5Co7 cuboctahedra; edges with four Co(4,4)Nd4Co8 cuboctahedra; edges with four equivalent Co(5)Nd5Co7 cuboctahedra;  a faceface with one Co(4)Nd4Co8 cuboctahedra; faces with three equivalent Co(1)Nd6Co6 cuboctahedra; and faces with ten equivalent Co(5)Nd5Co7 cuboctahedra. In the eighth Co site, Co(4) is bonded to four Nd(1,1); two equivalent Co(2); two equivalent Co(3); and four Co(4,4) atoms to form CoNd4Co8 cuboctahedra that share corners with four equivalent Co(4)Nd4Co8 cuboctahedra; corners with twelve equivalent Co(5)Nd5Co7 cuboctahedra; edges with two equivalent Co(4)Nd4Co8 cuboctahedra; edges with eight equivalent Co(5)Nd5Co7 cuboctahedra; faces with two equivalent Co(5)Nd5Co7 cuboctahedra; and faces with eight Co(4,4)Nd4Co8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Co7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.979
_cell_length_b   4.979
_cell_length_c   12.484
_cell_angle_alpha   78.497
_cell_angle_beta   78.497
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   260.825
_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  0.948  0.948  0.155  1.0
  Nd  Nd1  1  0.052  0.052  0.845  1.0
  Nd  Nd2  1  0.852  0.852  0.445  1.0
  Nd  Nd3  1  0.148  0.148  0.555  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.721  0.721  0.836  1.0
  Co  Co6  1  0.279  0.279  0.164  1.0
  Co  Co7  1  0.612  0.612  0.163  1.0
  Co  Co8  1  0.388  0.388  0.837  1.0
  Co  Co9  1  0.000  0.500  0.000  1.0
  Co  Co10  1  0.500  0.000  0.000  1.0
  Co  Co11  1  0.500  0.500  0.000  1.0
  Co  Co12  1  0.394  0.394  0.323  1.0
  Co  Co13  1  0.889  0.394  0.323  1.0
  Co  Co14  1  0.394  0.889  0.323  1.0
  Co  Co15  1  0.606  0.606  0.677  1.0
  Co  Co16  1  0.111  0.606  0.677  1.0
  Co  Co17  1  0.606  0.111  0.677  1.0
[/CIF]
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