The material described by NdVSb3 crystallizes in the orthorhombic Pbcm space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent V(1), two equivalent Sb(1), two equivalent Sb(3), and three equivalent Sb(2) atoms. V(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1), one Sb(1), and four equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to two equivalent Nd(1), one V(1), and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Nd(1), one Sb(3), and two equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Nd(1), four equivalent V(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_NdVSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.008
_cell_length_b   6.546
_cell_length_c   8.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.982
_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  0.484  0.267  1.0
  Nd  Nd1  1  0.250  0.984  0.733  1.0
  Nd  Nd2  1  0.750  0.516  0.733  1.0
  Nd  Nd3  1  0.750  0.016  0.267  1.0
  V  V4  1  0.000  0.750  0.970  1.0
  V  V5  1  0.000  0.250  0.030  1.0
  V  V6  1  0.500  0.750  0.970  1.0
  V  V7  1  0.500  0.250  0.030  1.0
  Sb  Sb8  1  0.500  0.750  0.284  1.0
  Sb  Sb9  1  0.750  0.502  0.384  1.0
  Sb  Sb10  1  0.750  0.455  0.069  1.0
  Sb  Sb11  1  0.000  0.750  0.284  1.0
  Sb  Sb12  1  0.000  0.250  0.716  1.0
  Sb  Sb13  1  0.250  0.545  0.931  1.0
  Sb  Sb14  1  0.250  0.498  0.616  1.0
  Sb  Sb15  1  0.250  0.045  0.069  1.0
  Sb  Sb16  1  0.250  0.998  0.384  1.0
  Sb  Sb17  1  0.500  0.250  0.716  1.0
  Sb  Sb18  1  0.750  0.002  0.616  1.0
  Sb  Sb19  1  0.750  0.955  0.931  1.0
[/CIF]
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The material described by NdVSb3 crystallizes in the orthorhombic Pbcm space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent V(1), two equivalent Sb(1), two equivalent Sb(3), and three equivalent Sb(2) atoms. V(1) is bonded in a 3-coordinate geometry to two equivalent Nd(1), one Sb(1), and four equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to two equivalent Nd(1), one V(1), and two equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Nd(1), one Sb(3), and two equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to two equivalent Nd(1), four equivalent V(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_NdVSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.008
_cell_length_b   6.546
_cell_length_c   8.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.982
_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  0.484  0.267  1.0
  Nd  Nd1  1  0.250  0.984  0.733  1.0
  Nd  Nd2  1  0.750  0.516  0.733  1.0
  Nd  Nd3  1  0.750  0.016  0.267  1.0
  V  V4  1  0.000  0.750  0.970  1.0
  V  V5  1  0.000  0.250  0.030  1.0
  V  V6  1  0.500  0.750  0.970  1.0
  V  V7  1  0.500  0.250  0.030  1.0
  Sb  Sb8  1  0.500  0.750  0.284  1.0
  Sb  Sb9  1  0.750  0.502  0.384  1.0
  Sb  Sb10  1  0.750  0.455  0.069  1.0
  Sb  Sb11  1  0.000  0.750  0.284  1.0
  Sb  Sb12  1  0.000  0.250  0.716  1.0
  Sb  Sb13  1  0.250  0.545  0.931  1.0
  Sb  Sb14  1  0.250  0.498  0.616  1.0
  Sb  Sb15  1  0.250  0.045  0.069  1.0
  Sb  Sb16  1  0.250  0.998  0.384  1.0
  Sb  Sb17  1  0.500  0.250  0.716  1.0
  Sb  Sb18  1  0.750  0.002  0.616  1.0
  Sb  Sb19  1  0.750  0.955  0.931  1.0
[/CIF]
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