The material described by NdCoSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(2), two equivalent Sb(1), two equivalent Sb(3), and four equivalent Sb(5) atoms. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(4), two equivalent Sb(1), two equivalent Sb(3), and four equivalent Sb(5) atoms. Co(1) is bonded in a 6-coordinate geometry to one Nd(1), one Nd(2), one Sb(1), one Sb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(1), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Nd(1), four equivalent Co(1), and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Co(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Nd(2) and four equivalent Co(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and four equivalent Sb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdCoSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   12.148
_cell_length_c   12.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   961.208
_cell_formula_units_Z   8
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  0.222  0.250  0.303  1.0
  Nd  Nd1  1  0.250  0.000  0.700  1.0
  Nd  Nd2  1  0.778  0.750  0.697  1.0
  Nd  Nd3  1  0.278  0.750  0.303  1.0
  Nd  Nd4  1  0.750  0.500  0.300  1.0
  Nd  Nd5  1  0.750  0.000  0.300  1.0
  Nd  Nd6  1  0.722  0.250  0.697  1.0
  Nd  Nd7  1  0.250  0.500  0.700  1.0
  Co  Co8  1  0.038  0.864  0.098  1.0
  Co  Co9  1  0.462  0.136  0.098  1.0
  Co  Co10  1  0.962  0.364  0.902  1.0
  Co  Co11  1  0.038  0.636  0.098  1.0
  Co  Co12  1  0.538  0.864  0.902  1.0
  Co  Co13  1  0.462  0.364  0.098  1.0
  Co  Co14  1  0.962  0.136  0.902  1.0
  Co  Co15  1  0.538  0.636  0.902  1.0
  Sb  Sb16  1  0.231  0.250  0.786  1.0
  Sb  Sb17  1  0.614  0.250  0.945  1.0
  Sb  Sb18  1  0.769  0.750  0.214  1.0
  Sb  Sb19  1  0.114  0.250  0.055  1.0
  Sb  Sb20  1  0.250  0.000  0.219  1.0
  Sb  Sb21  1  0.750  0.000  0.028  1.0
  Sb  Sb22  1  0.985  0.124  0.503  1.0
  Sb  Sb23  1  0.250  0.500  0.219  1.0
  Sb  Sb24  1  0.515  0.624  0.503  1.0
  Sb  Sb25  1  0.750  0.000  0.781  1.0
  Sb  Sb26  1  0.750  0.500  0.028  1.0
  Sb  Sb27  1  0.731  0.250  0.214  1.0
  Sb  Sb28  1  0.485  0.376  0.497  1.0
  Sb  Sb29  1  0.886  0.750  0.945  1.0
  Sb  Sb30  1  0.015  0.624  0.497  1.0
  Sb  Sb31  1  0.269  0.750  0.786  1.0
  Sb  Sb32  1  0.985  0.376  0.503  1.0
  Sb  Sb33  1  0.250  0.000  0.972  1.0
  Sb  Sb34  1  0.750  0.500  0.781  1.0
  Sb  Sb35  1  0.515  0.876  0.503  1.0
  Sb  Sb36  1  0.015  0.876  0.497  1.0
  Sb  Sb37  1  0.485  0.124  0.497  1.0
  Sb  Sb38  1  0.386  0.750  0.055  1.0
  Sb  Sb39  1  0.250  0.500  0.972  1.0
[/CIF]
.
The material described by NdCoSb3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(2), two equivalent Sb(1), two equivalent Sb(3), and four equivalent Sb(5) atoms. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), one Sb(4), two equivalent Sb(1), two equivalent Sb(3), and four equivalent Sb(5) atoms. Co(1) is bonded in a 6-coordinate geometry to one Nd(1), one Nd(2), one Sb(1), one Sb(3), two equivalent Sb(2), and two equivalent Sb(4) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(1), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Nd(1), four equivalent Co(1), and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Co(1) atoms. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Nd(2) and four equivalent Co(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and four equivalent Sb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdCoSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   12.148
_cell_length_c   12.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   961.208
_cell_formula_units_Z   8
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  0.222  0.250  0.303  1.0
  Nd  Nd1  1  0.250  0.000  0.700  1.0
  Nd  Nd2  1  0.778  0.750  0.697  1.0
  Nd  Nd3  1  0.278  0.750  0.303  1.0
  Nd  Nd4  1  0.750  0.500  0.300  1.0
  Nd  Nd5  1  0.750  0.000  0.300  1.0
  Nd  Nd6  1  0.722  0.250  0.697  1.0
  Nd  Nd7  1  0.250  0.500  0.700  1.0
  Co  Co8  1  0.038  0.864  0.098  1.0
  Co  Co9  1  0.462  0.136  0.098  1.0
  Co  Co10  1  0.962  0.364  0.902  1.0
  Co  Co11  1  0.038  0.636  0.098  1.0
  Co  Co12  1  0.538  0.864  0.902  1.0
  Co  Co13  1  0.462  0.364  0.098  1.0
  Co  Co14  1  0.962  0.136  0.902  1.0
  Co  Co15  1  0.538  0.636  0.902  1.0
  Sb  Sb16  1  0.231  0.250  0.786  1.0
  Sb  Sb17  1  0.614  0.250  0.945  1.0
  Sb  Sb18  1  0.769  0.750  0.214  1.0
  Sb  Sb19  1  0.114  0.250  0.055  1.0
  Sb  Sb20  1  0.250  0.000  0.219  1.0
  Sb  Sb21  1  0.750  0.000  0.028  1.0
  Sb  Sb22  1  0.985  0.124  0.503  1.0
  Sb  Sb23  1  0.250  0.500  0.219  1.0
  Sb  Sb24  1  0.515  0.624  0.503  1.0
  Sb  Sb25  1  0.750  0.000  0.781  1.0
  Sb  Sb26  1  0.750  0.500  0.028  1.0
  Sb  Sb27  1  0.731  0.250  0.214  1.0
  Sb  Sb28  1  0.485  0.376  0.497  1.0
  Sb  Sb29  1  0.886  0.750  0.945  1.0
  Sb  Sb30  1  0.015  0.624  0.497  1.0
  Sb  Sb31  1  0.269  0.750  0.786  1.0
  Sb  Sb32  1  0.985  0.376  0.503  1.0
  Sb  Sb33  1  0.250  0.000  0.972  1.0
  Sb  Sb34  1  0.750  0.500  0.781  1.0
  Sb  Sb35  1  0.515  0.876  0.503  1.0
  Sb  Sb36  1  0.015  0.876  0.497  1.0
  Sb  Sb37  1  0.485  0.124  0.497  1.0
  Sb  Sb38  1  0.386  0.750  0.055  1.0
  Sb  Sb39  1  0.250  0.500  0.972  1.0
[/CIF]
.