The structure described by NdCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to three equivalent Co(3) and nine equivalent Co(1) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(2) and twelve equivalent Co(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Nd(2), three equivalent Nd(1), one Co(3), two equivalent Co(2), and four equivalent Co(1) atoms to form CoNd5Co7 cuboctahedra that share corners with two equivalent Co(3)Nd6Co6 cuboctahedra, corners with fifteen equivalent Co(1)Nd5Co7 cuboctahedra, edges with eight equivalent Co(1)Nd5Co7 cuboctahedra, faces with three equivalent Co(3)Nd6Co6 cuboctahedra, and faces with eleven equivalent Co(1)Nd5Co7 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2) and six equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to six equivalent Nd(1) and six equivalent Co(1) atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Nd5Co7 cuboctahedra, edges with six equivalent Co(3)Nd6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Nd5Co7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   5.084
_cell_length_c   8.776
_cell_angle_alpha   73.161
_cell_angle_beta   73.161
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   185.151
_cell_formula_units_Z   3
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  0.139  0.139  0.582  1.0
  Nd  Nd1  1  0.861  0.861  0.418  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.082  0.578  0.762  1.0
  Co  Co4  1  0.578  0.578  0.762  1.0
  Co  Co5  1  0.578  0.082  0.762  1.0
  Co  Co6  1  0.918  0.422  0.238  1.0
  Co  Co7  1  0.422  0.422  0.238  1.0
  Co  Co8  1  0.422  0.918  0.238  1.0
  Co  Co9  1  0.334  0.334  0.998  1.0
  Co  Co10  1  0.666  0.666  0.002  1.0
  Co  Co11  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by NdCo3 crystallizes in the trigonal R-3m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to three equivalent Co(3) and nine equivalent Co(1) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(2) and twelve equivalent Co(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Nd(2), three equivalent Nd(1), one Co(3), two equivalent Co(2), and four equivalent Co(1) atoms to form CoNd5Co7 cuboctahedra that share corners with two equivalent Co(3)Nd6Co6 cuboctahedra, corners with fifteen equivalent Co(1)Nd5Co7 cuboctahedra, edges with eight equivalent Co(1)Nd5Co7 cuboctahedra, faces with three equivalent Co(3)Nd6Co6 cuboctahedra, and faces with eleven equivalent Co(1)Nd5Co7 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Nd(2) and six equivalent Co(1) atoms. In the third Co site, Co(3) is bonded to six equivalent Nd(1) and six equivalent Co(1) atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent Co(1)Nd5Co7 cuboctahedra, edges with six equivalent Co(3)Nd6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Nd5Co7 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.084
_cell_length_b   5.084
_cell_length_c   8.776
_cell_angle_alpha   73.161
_cell_angle_beta   73.161
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   185.151
_cell_formula_units_Z   3
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  0.139  0.139  0.582  1.0
  Nd  Nd1  1  0.861  0.861  0.418  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.082  0.578  0.762  1.0
  Co  Co4  1  0.578  0.578  0.762  1.0
  Co  Co5  1  0.578  0.082  0.762  1.0
  Co  Co6  1  0.918  0.422  0.238  1.0
  Co  Co7  1  0.422  0.422  0.238  1.0
  Co  Co8  1  0.422  0.918  0.238  1.0
  Co  Co9  1  0.334  0.334  0.998  1.0
  Co  Co10  1  0.666  0.666  0.002  1.0
  Co  Co11  1  0.500  0.500  0.500  1.0
[/CIF]
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