The material structure described by NdCrSb3 crystallizes in the orthorhombic Pbcm space group. Nd(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. Cr(1) is bonded to two equivalent Sb(3) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Nd(1), four equivalent Cr(1), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent Nd(1), two equivalent Cr(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_NdCrSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.193
_cell_length_c   13.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   509.925
_cell_formula_units_Z   4
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  0.250  0.505  0.312  1.0
  Nd  Nd1  1  0.750  0.495  0.688  1.0
  Nd  Nd2  1  0.250  0.005  0.688  1.0
  Nd  Nd3  1  0.750  0.995  0.312  1.0
  Cr  Cr4  1  0.000  0.750  0.907  1.0
  Cr  Cr5  1  0.000  0.250  0.093  1.0
  Cr  Cr6  1  0.500  0.250  0.093  1.0
  Cr  Cr7  1  0.500  0.750  0.907  1.0
  Sb  Sb8  1  0.000  0.750  0.502  1.0
  Sb  Sb9  1  0.000  0.250  0.498  1.0
  Sb  Sb10  1  0.500  0.250  0.498  1.0
  Sb  Sb11  1  0.500  0.750  0.502  1.0
  Sb  Sb12  1  0.250  0.607  0.064  1.0
  Sb  Sb13  1  0.750  0.393  0.936  1.0
  Sb  Sb14  1  0.250  0.107  0.936  1.0
  Sb  Sb15  1  0.750  0.893  0.064  1.0
  Sb  Sb16  1  0.250  0.999  0.222  1.0
  Sb  Sb17  1  0.750  0.001  0.778  1.0
  Sb  Sb18  1  0.250  0.499  0.778  1.0
  Sb  Sb19  1  0.750  0.501  0.222  1.0
[/CIF]
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The material structure described by NdCrSb3 crystallizes in the orthorhombic Pbcm space group. Nd(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. Cr(1) is bonded to two equivalent Sb(3) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Nd(1), four equivalent Cr(1), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent Nd(1), two equivalent Cr(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_NdCrSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.193
_cell_length_c   13.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   509.925
_cell_formula_units_Z   4
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  0.250  0.505  0.312  1.0
  Nd  Nd1  1  0.750  0.495  0.688  1.0
  Nd  Nd2  1  0.250  0.005  0.688  1.0
  Nd  Nd3  1  0.750  0.995  0.312  1.0
  Cr  Cr4  1  0.000  0.750  0.907  1.0
  Cr  Cr5  1  0.000  0.250  0.093  1.0
  Cr  Cr6  1  0.500  0.250  0.093  1.0
  Cr  Cr7  1  0.500  0.750  0.907  1.0
  Sb  Sb8  1  0.000  0.750  0.502  1.0
  Sb  Sb9  1  0.000  0.250  0.498  1.0
  Sb  Sb10  1  0.500  0.250  0.498  1.0
  Sb  Sb11  1  0.500  0.750  0.502  1.0
  Sb  Sb12  1  0.250  0.607  0.064  1.0
  Sb  Sb13  1  0.750  0.393  0.936  1.0
  Sb  Sb14  1  0.250  0.107  0.936  1.0
  Sb  Sb15  1  0.750  0.893  0.064  1.0
  Sb  Sb16  1  0.250  0.999  0.222  1.0
  Sb  Sb17  1  0.750  0.001  0.778  1.0
  Sb  Sb18  1  0.250  0.499  0.778  1.0
  Sb  Sb19  1  0.750  0.501  0.222  1.0
[/CIF]
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