The material structure described by PrVSb3 crystallizes in the orthorhombic Pbcm space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. V(1) is bonded in a distorted T-shaped geometry to two equivalent Pr(1), one Sb(1), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one V(1) atom. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to two equivalent Pr(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrVSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.402
_cell_length_b   8.992
_cell_length_c   7.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   650.136
_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
  Pr  Pr0  1  0.250  0.253  0.193  1.0
  Pr  Pr1  1  0.250  0.753  0.807  1.0
  Pr  Pr2  1  0.750  0.747  0.807  1.0
  Pr  Pr3  1  0.750  0.247  0.193  1.0
  V  V4  1  0.000  0.750  0.180  1.0
  V  V5  1  0.000  0.250  0.820  1.0
  V  V6  1  0.500  0.250  0.820  1.0
  V  V7  1  0.500  0.750  0.180  1.0
  Sb  Sb8  1  0.500  0.750  0.528  1.0
  Sb  Sb9  1  0.750  0.456  0.555  1.0
  Sb  Sb10  1  0.750  0.602  0.180  1.0
  Sb  Sb11  1  0.000  0.750  0.528  1.0
  Sb  Sb12  1  0.000  0.250  0.472  1.0
  Sb  Sb13  1  0.250  0.398  0.820  1.0
  Sb  Sb14  1  0.250  0.544  0.445  1.0
  Sb  Sb15  1  0.250  0.898  0.180  1.0
  Sb  Sb16  1  0.250  0.044  0.555  1.0
  Sb  Sb17  1  0.500  0.250  0.472  1.0
  Sb  Sb18  1  0.750  0.956  0.445  1.0
  Sb  Sb19  1  0.750  0.102  0.820  1.0
[/CIF]
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The material structure described by PrVSb3 crystallizes in the orthorhombic Pbcm space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. V(1) is bonded in a distorted T-shaped geometry to two equivalent Pr(1), one Sb(1), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one V(1) atom. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to two equivalent Pr(1) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrVSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.402
_cell_length_b   8.992
_cell_length_c   7.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   650.136
_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
  Pr  Pr0  1  0.250  0.253  0.193  1.0
  Pr  Pr1  1  0.250  0.753  0.807  1.0
  Pr  Pr2  1  0.750  0.747  0.807  1.0
  Pr  Pr3  1  0.750  0.247  0.193  1.0
  V  V4  1  0.000  0.750  0.180  1.0
  V  V5  1  0.000  0.250  0.820  1.0
  V  V6  1  0.500  0.250  0.820  1.0
  V  V7  1  0.500  0.750  0.180  1.0
  Sb  Sb8  1  0.500  0.750  0.528  1.0
  Sb  Sb9  1  0.750  0.456  0.555  1.0
  Sb  Sb10  1  0.750  0.602  0.180  1.0
  Sb  Sb11  1  0.000  0.750  0.528  1.0
  Sb  Sb12  1  0.000  0.250  0.472  1.0
  Sb  Sb13  1  0.250  0.398  0.820  1.0
  Sb  Sb14  1  0.250  0.544  0.445  1.0
  Sb  Sb15  1  0.250  0.898  0.180  1.0
  Sb  Sb16  1  0.250  0.044  0.555  1.0
  Sb  Sb17  1  0.500  0.250  0.472  1.0
  Sb  Sb18  1  0.750  0.956  0.445  1.0
  Sb  Sb19  1  0.750  0.102  0.820  1.0
[/CIF]
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