The crystal structure described by SrPrVO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. V(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent V(1) atoms to form distorted OSr2Pr2V2 octahedra that share corners with two equivalent O(1)Sr2Pr2V2 octahedra, corners with six equivalent O(3)Sr4PrV octahedra, corners with six equivalent O(2)SrPr4V octahedra, edges with two equivalent O(1)Sr2Pr2V2 octahedra, faces with two equivalent O(3)Sr4PrV octahedra, faces with two equivalent O(2)SrPr4V octahedra, and faces with four equivalent O(1)Sr2Pr2V2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Pr(1), and one V(1) atom to form distorted OSrPr4V octahedra that share  a cornercorner with one O(3)Sr4PrV octahedra, corners with four equivalent O(2)SrPr4V octahedra, corners with twelve equivalent O(1)Sr2Pr2V2 octahedra, edges with four equivalent O(3)Sr4PrV octahedra, edges with four equivalent O(2)SrPr4V octahedra, and faces with four equivalent O(1)Sr2Pr2V2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Pr(1), and one V(1) atom to form distorted OSr4PrV octahedra that share  a cornercorner with one O(2)SrPr4V octahedra, corners with four equivalent O(3)Sr4PrV octahedra, corners with twelve equivalent O(1)Sr2Pr2V2 octahedra, edges with four equivalent O(3)Sr4PrV octahedra, edges with four equivalent O(2)SrPr4V octahedra, and faces with four equivalent O(1)Sr2Pr2V2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.919
_cell_length_b   6.919
_cell_length_c   6.919
_cell_angle_alpha   147.155
_cell_angle_beta   147.155
_cell_angle_gamma   47.134
_symmetry_Int_Tables_number   1
_cell_volume   97.083
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.646  0.646  0.000  1.0
  Pr  Pr1  1  0.358  0.358  0.000  1.0
  V  V2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.992  0.492  0.500  1.0
  O  O4  1  0.492  0.992  0.500  1.0
  O  O5  1  0.834  0.834  0.000  1.0
  O  O6  1  0.175  0.175  0.000  1.0
[/CIF]
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The crystal structure described by SrPrVO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. V(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent V(1) atoms to form distorted OSr2Pr2V2 octahedra that share corners with two equivalent O(1)Sr2Pr2V2 octahedra, corners with six equivalent O(3)Sr4PrV octahedra, corners with six equivalent O(2)SrPr4V octahedra, edges with two equivalent O(1)Sr2Pr2V2 octahedra, faces with two equivalent O(3)Sr4PrV octahedra, faces with two equivalent O(2)SrPr4V octahedra, and faces with four equivalent O(1)Sr2Pr2V2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Pr(1), and one V(1) atom to form distorted OSrPr4V octahedra that share  a cornercorner with one O(3)Sr4PrV octahedra, corners with four equivalent O(2)SrPr4V octahedra, corners with twelve equivalent O(1)Sr2Pr2V2 octahedra, edges with four equivalent O(3)Sr4PrV octahedra, edges with four equivalent O(2)SrPr4V octahedra, and faces with four equivalent O(1)Sr2Pr2V2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Pr(1), and one V(1) atom to form distorted OSr4PrV octahedra that share  a cornercorner with one O(2)SrPr4V octahedra, corners with four equivalent O(3)Sr4PrV octahedra, corners with twelve equivalent O(1)Sr2Pr2V2 octahedra, edges with four equivalent O(3)Sr4PrV octahedra, edges with four equivalent O(2)SrPr4V octahedra, and faces with four equivalent O(1)Sr2Pr2V2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.919
_cell_length_b   6.919
_cell_length_c   6.919
_cell_angle_alpha   147.155
_cell_angle_beta   147.155
_cell_angle_gamma   47.134
_symmetry_Int_Tables_number   1
_cell_volume   97.083
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.646  0.646  0.000  1.0
  Pr  Pr1  1  0.358  0.358  0.000  1.0
  V  V2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.992  0.492  0.500  1.0
  O  O4  1  0.492  0.992  0.500  1.0
  O  O5  1  0.834  0.834  0.000  1.0
  O  O6  1  0.175  0.175  0.000  1.0
[/CIF]
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