The crystal structure described by SrCaPrSbO6 crystallizes in the tetragonal P42_12 space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Pr(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form PrO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Sb(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(1), one Pr(1), and one Sb(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Sb(1) atom to form distorted OSr4PrSb octahedra that share corners with four equivalent O(2)Sr4PrSb octahedra, corners with eight equivalent O(3)SrCaPrSb tetrahedra, edges with four equivalent O(2)Sr4PrSb octahedra, and edges with eight equivalent O(3)SrCaPrSb tetrahedra. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded to one Sr(1), one Ca(1), one Pr(1), and one Sb(1) atom to form distorted OSrCaPrSb tetrahedra that share corners with two equivalent O(2)Sr4PrSb octahedra, corners with ten equivalent O(3)SrCaPrSb tetrahedra, edges with two equivalent O(2)Sr4PrSb octahedra, and  an edgeedge with one O(3)SrCaPrSb tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF file [CIF]
data_SrCaPrSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   8.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.992
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Ca  Ca3  1  0.000  0.000  0.000  1.0
  Pr  Pr4  1  0.500  0.000  0.752  1.0
  Pr  Pr5  1  0.000  0.500  0.248  1.0
  Sb  Sb6  1  0.500  0.000  0.245  1.0
  Sb  Sb7  1  0.000  0.500  0.755  1.0
  O  O8  1  0.500  0.000  0.015  1.0
  O  O9  1  0.000  0.500  0.985  1.0
  O  O10  1  0.500  0.000  0.480  1.0
  O  O11  1  0.000  0.500  0.520  1.0
  O  O12  1  0.695  0.652  0.757  1.0
  O  O13  1  0.305  0.348  0.757  1.0
  O  O14  1  0.848  0.195  0.757  1.0
  O  O15  1  0.152  0.805  0.757  1.0
  O  O16  1  0.805  0.152  0.243  1.0
  O  O17  1  0.195  0.848  0.243  1.0
  O  O18  1  0.652  0.695  0.243  1.0
  O  O19  1  0.348  0.305  0.243  1.0
[/CIF]
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The crystal structure described by SrCaPrSbO6 crystallizes in the tetragonal P42_12 space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Pr(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form PrO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Sb(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(1), one Pr(1), and one Sb(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Sb(1) atom to form distorted OSr4PrSb octahedra that share corners with four equivalent O(2)Sr4PrSb octahedra, corners with eight equivalent O(3)SrCaPrSb tetrahedra, edges with four equivalent O(2)Sr4PrSb octahedra, and edges with eight equivalent O(3)SrCaPrSb tetrahedra. The corner-sharing octahedral tilt angles are 7°. In the third O site, O(3) is bonded to one Sr(1), one Ca(1), one Pr(1), and one Sb(1) atom to form distorted OSrCaPrSb tetrahedra that share corners with two equivalent O(2)Sr4PrSb octahedra, corners with ten equivalent O(3)SrCaPrSb tetrahedra, edges with two equivalent O(2)Sr4PrSb octahedra, and  an edgeedge with one O(3)SrCaPrSb tetrahedra. The corner-sharing octahedral tilt angles are 67°. is represented by the CIF file [CIF]
data_SrCaPrSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.924
_cell_length_b   5.924
_cell_length_c   8.607
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.992
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Ca  Ca3  1  0.000  0.000  0.000  1.0
  Pr  Pr4  1  0.500  0.000  0.752  1.0
  Pr  Pr5  1  0.000  0.500  0.248  1.0
  Sb  Sb6  1  0.500  0.000  0.245  1.0
  Sb  Sb7  1  0.000  0.500  0.755  1.0
  O  O8  1  0.500  0.000  0.015  1.0
  O  O9  1  0.000  0.500  0.985  1.0
  O  O10  1  0.500  0.000  0.480  1.0
  O  O11  1  0.000  0.500  0.520  1.0
  O  O12  1  0.695  0.652  0.757  1.0
  O  O13  1  0.305  0.348  0.757  1.0
  O  O14  1  0.848  0.195  0.757  1.0
  O  O15  1  0.152  0.805  0.757  1.0
  O  O16  1  0.805  0.152  0.243  1.0
  O  O17  1  0.195  0.848  0.243  1.0
  O  O18  1  0.652  0.695  0.243  1.0
  O  O19  1  0.348  0.305  0.243  1.0
[/CIF]
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