The crystal structure described by SrPrAlO4 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(1), four equivalent O(2), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 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 one Sr(1), four equivalent Pr(1), and one Al(1) atom to form distorted OSrPr4Al octahedra that share  a cornercorner with one O(2)Sr4PrAl octahedra, corners with four equivalent O(1)SrPr4Al octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Al(1) atom to form distorted OSr4PrAl octahedra that share  a cornercorner with one O(1)SrPr4Al octahedra, corners with four equivalent O(2)Sr4PrAl octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Al(1) atoms to form distorted OSr2Pr2Al2 octahedra that share corners with two equivalent O(3)Sr2Pr2Al2 octahedra, corners with six equivalent O(2)Sr4PrAl octahedra, corners with six equivalent O(1)SrPr4Al octahedra, edges with two equivalent O(3)Sr2Pr2Al2 octahedra, faces with two equivalent O(2)Sr4PrAl octahedra, faces with two equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.802
_cell_length_b   6.802
_cell_length_c   6.802
_cell_angle_alpha   147.728
_cell_angle_beta   147.728
_cell_angle_gamma   46.287
_symmetry_Int_Tables_number   1
_cell_volume   89.401
_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  0.643  0.643  0.000  1.0
  Pr  Pr1  1  0.359  0.359  0.000  1.0
  Al  Al2  1  0.004  0.004  0.000  1.0
  O  O3  1  0.839  0.839  0.000  1.0
  O  O4  1  0.165  0.165  0.000  1.0
  O  O5  1  0.994  0.494  0.500  1.0
  O  O6  1  0.494  0.994  0.500  1.0
[/CIF]
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The crystal structure described by SrPrAlO4 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(1), four equivalent O(2), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 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 one Sr(1), four equivalent Pr(1), and one Al(1) atom to form distorted OSrPr4Al octahedra that share  a cornercorner with one O(2)Sr4PrAl octahedra, corners with four equivalent O(1)SrPr4Al octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Al(1) atom to form distorted OSr4PrAl octahedra that share  a cornercorner with one O(1)SrPr4Al octahedra, corners with four equivalent O(2)Sr4PrAl octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Al(1) atoms to form distorted OSr2Pr2Al2 octahedra that share corners with two equivalent O(3)Sr2Pr2Al2 octahedra, corners with six equivalent O(2)Sr4PrAl octahedra, corners with six equivalent O(1)SrPr4Al octahedra, edges with two equivalent O(3)Sr2Pr2Al2 octahedra, faces with two equivalent O(2)Sr4PrAl octahedra, faces with two equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.802
_cell_length_b   6.802
_cell_length_c   6.802
_cell_angle_alpha   147.728
_cell_angle_beta   147.728
_cell_angle_gamma   46.287
_symmetry_Int_Tables_number   1
_cell_volume   89.401
_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  0.643  0.643  0.000  1.0
  Pr  Pr1  1  0.359  0.359  0.000  1.0
  Al  Al2  1  0.004  0.004  0.000  1.0
  O  O3  1  0.839  0.839  0.000  1.0
  O  O4  1  0.165  0.165  0.000  1.0
  O  O5  1  0.994  0.494  0.500  1.0
  O  O6  1  0.494  0.994  0.500  1.0
[/CIF]
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