The material structure described by CaPr(SbO3)2 crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Pr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), two equivalent Pr(1), and two equivalent Sb(1) atoms to form distorted OCa2Pr2Sb2 octahedra that share corners with six equivalent O(1)Ca2Pr2Sb2 octahedra, corners with four equivalent O(2)Ca2Sb2 tetrahedra, corners with four equivalent O(3)Pr2Sb2 tetrahedra, edges with four equivalent O(1)Ca2Pr2Sb2 octahedra, edges with four equivalent O(2)Ca2Sb2 tetrahedra, and edges with four equivalent O(3)Pr2Sb2 tetrahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Sb(1) atoms to form distorted OCa2Sb2 tetrahedra that share corners with four equivalent O(1)Ca2Pr2Sb2 octahedra, corners with four equivalent O(3)Pr2Sb2 tetrahedra, corners with six equivalent O(2)Ca2Sb2 tetrahedra, edges with four equivalent O(1)Ca2Pr2Sb2 octahedra, and  an edgeedge with one O(2)Ca2Sb2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the third O site, O(3) is bonded to two equivalent Pr(1) and two equivalent Sb(1) atoms to form distorted OPr2Sb2 tetrahedra that share corners with four equivalent O(1)Ca2Pr2Sb2 octahedra, corners with four equivalent O(2)Ca2Sb2 tetrahedra, corners with six equivalent O(3)Pr2Sb2 tetrahedra, edges with four equivalent O(1)Ca2Pr2Sb2 octahedra, and  an edgeedge with one O(3)Pr2Sb2 tetrahedra. The corner-sharing octahedral tilt angles are 68°. is represented by the CIF card [CIF]
data_CaPr(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.293
_cell_length_b   5.904
_cell_length_c   5.904
_cell_angle_alpha   89.306
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.638
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Pr  Pr1  1  0.500  0.000  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.328  0.672  1.0
  O  O7  1  0.000  0.672  0.328  1.0
  O  O8  1  0.000  0.838  0.838  1.0
  O  O9  1  0.000  0.162  0.162  1.0
[/CIF]
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The material structure described by CaPr(SbO3)2 crystallizes in the orthorhombic Cmmm space group. Ca(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Pr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), two equivalent Pr(1), and two equivalent Sb(1) atoms to form distorted OCa2Pr2Sb2 octahedra that share corners with six equivalent O(1)Ca2Pr2Sb2 octahedra, corners with four equivalent O(2)Ca2Sb2 tetrahedra, corners with four equivalent O(3)Pr2Sb2 tetrahedra, edges with four equivalent O(1)Ca2Pr2Sb2 octahedra, edges with four equivalent O(2)Ca2Sb2 tetrahedra, and edges with four equivalent O(3)Pr2Sb2 tetrahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Sb(1) atoms to form distorted OCa2Sb2 tetrahedra that share corners with four equivalent O(1)Ca2Pr2Sb2 octahedra, corners with four equivalent O(3)Pr2Sb2 tetrahedra, corners with six equivalent O(2)Ca2Sb2 tetrahedra, edges with four equivalent O(1)Ca2Pr2Sb2 octahedra, and  an edgeedge with one O(2)Ca2Sb2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the third O site, O(3) is bonded to two equivalent Pr(1) and two equivalent Sb(1) atoms to form distorted OPr2Sb2 tetrahedra that share corners with four equivalent O(1)Ca2Pr2Sb2 octahedra, corners with four equivalent O(2)Ca2Sb2 tetrahedra, corners with six equivalent O(3)Pr2Sb2 tetrahedra, edges with four equivalent O(1)Ca2Pr2Sb2 octahedra, and  an edgeedge with one O(3)Pr2Sb2 tetrahedra. The corner-sharing octahedral tilt angles are 68°. is represented by the CIF card [CIF]
data_CaPr(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.293
_cell_length_b   5.904
_cell_length_c   5.904
_cell_angle_alpha   89.306
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.638
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Pr  Pr1  1  0.500  0.000  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.500  1.0
  Sb  Sb3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.328  0.672  1.0
  O  O7  1  0.000  0.672  0.328  1.0
  O  O8  1  0.000  0.838  0.838  1.0
  O  O9  1  0.000  0.162  0.162  1.0
[/CIF]
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