The material structure described by SrCaPrSbO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ca(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form PrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. In the second Pr site, Pr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Pr(2)O6 octahedra and corners with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra and corners with four equivalent Pr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Pr(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Pr(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Pr(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Pr(2), and one Sb(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Pr(2), and one Sb(1) atom to form distorted corner-sharing OSrCaPrSb tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Ca(1), one Pr(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_SrCaPrSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   6.017
_cell_length_c   8.415
_cell_angle_alpha   90.202
_cell_angle_beta   90.561
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   296.950
_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  0.511  0.547  0.250  1.0
  Sr  Sr1  1  0.489  0.453  0.750  1.0
  Ca  Ca2  1  0.986  0.047  0.254  1.0
  Ca  Ca3  1  0.014  0.953  0.746  1.0
  Pr  Pr4  1  0.000  0.500  0.000  1.0
  Pr  Pr5  1  0.500  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.222  0.180  0.937  1.0
  O  O9  1  0.279  0.684  0.547  1.0
  O  O10  1  0.778  0.820  0.063  1.0
  O  O11  1  0.721  0.316  0.453  1.0
  O  O12  1  0.325  0.721  0.944  1.0
  O  O13  1  0.172  0.218  0.562  1.0
  O  O14  1  0.675  0.279  0.056  1.0
  O  O15  1  0.828  0.782  0.438  1.0
  O  O16  1  0.382  0.969  0.227  1.0
  O  O17  1  0.096  0.444  0.272  1.0
  O  O18  1  0.618  0.031  0.773  1.0
  O  O19  1  0.904  0.556  0.728  1.0
[/CIF]
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The material structure described by SrCaPrSbO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ca(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form PrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. In the second Pr site, Pr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Pr(2)O6 octahedra and corners with four equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra and corners with four equivalent Pr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Pr(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Pr(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Pr(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Pr(2), and one Sb(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Pr(2), and one Sb(1) atom to form distorted corner-sharing OSrCaPrSb tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Ca(1), one Pr(1), and one Sb(2) atom. is represented by the CIF file [CIF]
data_SrCaPrSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   6.017
_cell_length_c   8.415
_cell_angle_alpha   90.202
_cell_angle_beta   90.561
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   296.950
_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  0.511  0.547  0.250  1.0
  Sr  Sr1  1  0.489  0.453  0.750  1.0
  Ca  Ca2  1  0.986  0.047  0.254  1.0
  Ca  Ca3  1  0.014  0.953  0.746  1.0
  Pr  Pr4  1  0.000  0.500  0.000  1.0
  Pr  Pr5  1  0.500  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.222  0.180  0.937  1.0
  O  O9  1  0.279  0.684  0.547  1.0
  O  O10  1  0.778  0.820  0.063  1.0
  O  O11  1  0.721  0.316  0.453  1.0
  O  O12  1  0.325  0.721  0.944  1.0
  O  O13  1  0.172  0.218  0.562  1.0
  O  O14  1  0.675  0.279  0.056  1.0
  O  O15  1  0.828  0.782  0.438  1.0
  O  O16  1  0.382  0.969  0.227  1.0
  O  O17  1  0.096  0.444  0.272  1.0
  O  O18  1  0.618  0.031  0.773  1.0
  O  O19  1  0.904  0.556  0.728  1.0
[/CIF]
.