The crystal structure described by PrVSb3 crystallizes in the orthorhombic Pbcm space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent V(1), one Sb(3), three equivalent Sb(2), and four equivalent Sb(1) atoms. V(1) is bonded in a 7-coordinate geometry to two equivalent Pr(1), one Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and one V(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent V(1) atoms. In the third Sb site, Sb(3) is bonded in a 3-coordinate geometry to one 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   6.589
_cell_length_b   7.932
_cell_length_c   10.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   549.545
_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  0.573  0.688  1.0
  Pr  Pr1  1  0.250  0.073  0.312  1.0
  Pr  Pr2  1  0.750  0.427  0.312  1.0
  Pr  Pr3  1  0.750  0.927  0.688  1.0
  V  V4  1  0.000  0.750  0.191  1.0
  V  V5  1  0.000  0.250  0.809  1.0
  V  V6  1  0.500  0.250  0.809  1.0
  V  V7  1  0.500  0.750  0.191  1.0
  Sb  Sb8  1  0.500  0.750  0.452  1.0
  Sb  Sb9  1  0.750  0.526  0.764  1.0
  Sb  Sb10  1  0.750  0.772  0.988  1.0
  Sb  Sb11  1  0.000  0.750  0.452  1.0
  Sb  Sb12  1  0.000  0.250  0.548  1.0
  Sb  Sb13  1  0.250  0.228  0.012  1.0
  Sb  Sb14  1  0.250  0.474  0.236  1.0
  Sb  Sb15  1  0.250  0.728  0.988  1.0
  Sb  Sb16  1  0.250  0.974  0.764  1.0
  Sb  Sb17  1  0.500  0.250  0.548  1.0
  Sb  Sb18  1  0.750  0.026  0.236  1.0
  Sb  Sb19  1  0.750  0.272  0.012  1.0
[/CIF]
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The crystal structure described by PrVSb3 crystallizes in the orthorhombic Pbcm space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent V(1), one Sb(3), three equivalent Sb(2), and four equivalent Sb(1) atoms. V(1) is bonded in a 7-coordinate geometry to two equivalent Pr(1), one Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and one V(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent V(1) atoms. In the third Sb site, Sb(3) is bonded in a 3-coordinate geometry to one 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   6.589
_cell_length_b   7.932
_cell_length_c   10.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   549.545
_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  0.573  0.688  1.0
  Pr  Pr1  1  0.250  0.073  0.312  1.0
  Pr  Pr2  1  0.750  0.427  0.312  1.0
  Pr  Pr3  1  0.750  0.927  0.688  1.0
  V  V4  1  0.000  0.750  0.191  1.0
  V  V5  1  0.000  0.250  0.809  1.0
  V  V6  1  0.500  0.250  0.809  1.0
  V  V7  1  0.500  0.750  0.191  1.0
  Sb  Sb8  1  0.500  0.750  0.452  1.0
  Sb  Sb9  1  0.750  0.526  0.764  1.0
  Sb  Sb10  1  0.750  0.772  0.988  1.0
  Sb  Sb11  1  0.000  0.750  0.452  1.0
  Sb  Sb12  1  0.000  0.250  0.548  1.0
  Sb  Sb13  1  0.250  0.228  0.012  1.0
  Sb  Sb14  1  0.250  0.474  0.236  1.0
  Sb  Sb15  1  0.250  0.728  0.988  1.0
  Sb  Sb16  1  0.250  0.974  0.764  1.0
  Sb  Sb17  1  0.500  0.250  0.548  1.0
  Sb  Sb18  1  0.750  0.026  0.236  1.0
  Sb  Sb19  1  0.750  0.272  0.012  1.0
[/CIF]
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