The structure described by SrPrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Pr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Pr(1) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1) and two equivalent Pr(1) atoms to form distorted corner-sharing OSr2Pr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   6.394
_cell_length_c   8.887
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.161
_cell_formula_units_Z   4
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  0.977  0.053  0.250  1.0
  Sr  Sr1  1  0.477  0.447  0.750  1.0
  Sr  Sr2  1  0.523  0.553  0.250  1.0
  Sr  Sr3  1  0.023  0.947  0.750  1.0
  Pr  Pr4  1  0.000  0.500  0.000  1.0
  Pr  Pr5  1  0.500  0.000  0.000  1.0
  Pr  Pr6  1  0.500  0.000  0.500  1.0
  Pr  Pr7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.703  0.296  0.428  1.0
  O  O9  1  0.203  0.204  0.572  1.0
  O  O10  1  0.797  0.796  0.072  1.0
  O  O11  1  0.297  0.704  0.928  1.0
  O  O12  1  0.297  0.704  0.572  1.0
  O  O13  1  0.797  0.796  0.428  1.0
  O  O14  1  0.203  0.204  0.928  1.0
  O  O15  1  0.703  0.296  0.072  1.0
  O  O16  1  0.131  0.436  0.250  1.0
  O  O17  1  0.631  0.064  0.750  1.0
  O  O18  1  0.369  0.936  0.250  1.0
  O  O19  1  0.869  0.564  0.750  1.0
[/CIF]
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The structure described by SrPrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Pr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing PrO6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Pr(1) atoms. In the second O site, O(2) is bonded to two equivalent Sr(1) and two equivalent Pr(1) atoms to form distorted corner-sharing OSr2Pr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   6.394
_cell_length_c   8.887
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   351.161
_cell_formula_units_Z   4
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  0.977  0.053  0.250  1.0
  Sr  Sr1  1  0.477  0.447  0.750  1.0
  Sr  Sr2  1  0.523  0.553  0.250  1.0
  Sr  Sr3  1  0.023  0.947  0.750  1.0
  Pr  Pr4  1  0.000  0.500  0.000  1.0
  Pr  Pr5  1  0.500  0.000  0.000  1.0
  Pr  Pr6  1  0.500  0.000  0.500  1.0
  Pr  Pr7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.703  0.296  0.428  1.0
  O  O9  1  0.203  0.204  0.572  1.0
  O  O10  1  0.797  0.796  0.072  1.0
  O  O11  1  0.297  0.704  0.928  1.0
  O  O12  1  0.297  0.704  0.572  1.0
  O  O13  1  0.797  0.796  0.428  1.0
  O  O14  1  0.203  0.204  0.928  1.0
  O  O15  1  0.703  0.296  0.072  1.0
  O  O16  1  0.131  0.436  0.250  1.0
  O  O17  1  0.631  0.064  0.750  1.0
  O  O18  1  0.369  0.936  0.250  1.0
  O  O19  1  0.869  0.564  0.750  1.0
[/CIF]
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