The material structure described by NdCoIn5 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent In(1) and eight equivalent In(2) atoms to form a mixture of corner and face-sharing NdIn12 cuboctahedra. Co(1) is bonded in a body-centered cubic geometry to eight equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted square co-planar geometry to four equivalent Nd(1) and eight equivalent In(2) atoms. In the second In site, In(2) is bonded in a 11-coordinate geometry to two equivalent Nd(1), two equivalent Co(1), two equivalent In(1), and five equivalent In(2) atoms. is represented by the CIF card [CIF]
data_NdIn5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   4.587
_cell_length_c   7.565
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.182
_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
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.500  0.000  0.689  1.0
  In  In3  1  0.000  0.500  0.689  1.0
  In  In4  1  0.500  0.000  0.311  1.0
  In  In5  1  0.000  0.500  0.311  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by NdCoIn5 crystallizes in the tetragonal P4/mmm space group. Nd(1) is bonded to four equivalent In(1) and eight equivalent In(2) atoms to form a mixture of corner and face-sharing NdIn12 cuboctahedra. Co(1) is bonded in a body-centered cubic geometry to eight equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted square co-planar geometry to four equivalent Nd(1) and eight equivalent In(2) atoms. In the second In site, In(2) is bonded in a 11-coordinate geometry to two equivalent Nd(1), two equivalent Co(1), two equivalent In(1), and five equivalent In(2) atoms. is represented by the CIF card [CIF]
data_NdIn5Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.587
_cell_length_b   4.587
_cell_length_c   7.565
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.182
_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
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.500  0.000  0.689  1.0
  In  In3  1  0.000  0.500  0.689  1.0
  In  In4  1  0.500  0.000  0.311  1.0
  In  In5  1  0.000  0.500  0.311  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
[/CIF]
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