The structure described by PrVSb3 crystallizes in the orthorhombic Pbcm space group. Pr(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. V(1) is bonded to two equivalent Sb(3) and four equivalent Sb(2) atoms to form a mixture of distorted corner, edge, and face-sharing VSb6 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 Pr(1) and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Pr(1), four equivalent V(1), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent Pr(1), two equivalent V(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_PrVSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.202
_cell_length_c   13.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.404
_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  0.502  0.312  1.0
  Pr  Pr1  1  0.750  0.498  0.688  1.0
  Pr  Pr2  1  0.250  0.002  0.688  1.0
  Pr  Pr3  1  0.750  0.998  0.312  1.0
  V  V4  1  0.000  0.750  0.907  1.0
  V  V5  1  0.000  0.250  0.093  1.0
  V  V6  1  0.500  0.250  0.093  1.0
  V  V7  1  0.500  0.750  0.907  1.0
  Sb  Sb8  1  0.000  0.750  0.501  1.0
  Sb  Sb9  1  0.000  0.250  0.499  1.0
  Sb  Sb10  1  0.500  0.250  0.499  1.0
  Sb  Sb11  1  0.500  0.750  0.501  1.0
  Sb  Sb12  1  0.250  0.606  0.065  1.0
  Sb  Sb13  1  0.750  0.394  0.935  1.0
  Sb  Sb14  1  0.250  0.106  0.935  1.0
  Sb  Sb15  1  0.750  0.894  0.065  1.0
  Sb  Sb16  1  0.250  0.996  0.218  1.0
  Sb  Sb17  1  0.750  0.004  0.782  1.0
  Sb  Sb18  1  0.250  0.496  0.782  1.0
  Sb  Sb19  1  0.750  0.504  0.218  1.0
[/CIF]
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The structure described by PrVSb3 crystallizes in the orthorhombic Pbcm space group. Pr(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. V(1) is bonded to two equivalent Sb(3) and four equivalent Sb(2) atoms to form a mixture of distorted corner, edge, and face-sharing VSb6 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 Pr(1) and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Pr(1), four equivalent V(1), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent Pr(1), two equivalent V(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_PrVSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.202
_cell_length_c   13.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   515.404
_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  0.502  0.312  1.0
  Pr  Pr1  1  0.750  0.498  0.688  1.0
  Pr  Pr2  1  0.250  0.002  0.688  1.0
  Pr  Pr3  1  0.750  0.998  0.312  1.0
  V  V4  1  0.000  0.750  0.907  1.0
  V  V5  1  0.000  0.250  0.093  1.0
  V  V6  1  0.500  0.250  0.093  1.0
  V  V7  1  0.500  0.750  0.907  1.0
  Sb  Sb8  1  0.000  0.750  0.501  1.0
  Sb  Sb9  1  0.000  0.250  0.499  1.0
  Sb  Sb10  1  0.500  0.250  0.499  1.0
  Sb  Sb11  1  0.500  0.750  0.501  1.0
  Sb  Sb12  1  0.250  0.606  0.065  1.0
  Sb  Sb13  1  0.750  0.394  0.935  1.0
  Sb  Sb14  1  0.250  0.106  0.935  1.0
  Sb  Sb15  1  0.750  0.894  0.065  1.0
  Sb  Sb16  1  0.250  0.996  0.218  1.0
  Sb  Sb17  1  0.750  0.004  0.782  1.0
  Sb  Sb18  1  0.250  0.496  0.782  1.0
  Sb  Sb19  1  0.750  0.504  0.218  1.0
[/CIF]
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