The compound described by Sr2PrO4 crystallizes in the orthorhombic Pbam space group. Sr(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing PrO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Sr(1) and two equivalent Pr(1) atoms to form distorted OSr3Pr2 trigonal bipyramids that share corners with four equivalent O(1)Sr4Pr square pyramids, corners with eight equivalent O(2)Sr3Pr2 trigonal bipyramids, edges with six equivalent O(1)Sr4Pr square pyramids, and edges with two equivalent O(2)Sr3Pr2 trigonal bipyramids. In the second O site, O(1) is bonded to four equivalent Sr(1) and one Pr(1) atom to form distorted OSr4Pr square pyramids that share corners with five equivalent O(1)Sr4Pr square pyramids, corners with four equivalent O(2)Sr3Pr2 trigonal bipyramids, edges with four equivalent O(1)Sr4Pr square pyramids, and edges with six equivalent O(2)Sr3Pr2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2PrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   6.282
_cell_length_c   10.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.698
_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  0.064  0.323  1.0
  Sr  Sr1  1  0.500  0.936  0.677  1.0
  Sr  Sr2  1  0.500  0.436  0.823  1.0
  Sr  Sr3  1  0.500  0.564  0.177  1.0
  Pr  Pr4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.000  0.152  0.794  1.0
  O  O7  1  0.000  0.848  0.206  1.0
  O  O8  1  0.000  0.652  0.706  1.0
  O  O9  1  0.000  0.348  0.294  1.0
  O  O10  1  0.500  0.263  0.544  1.0
  O  O11  1  0.500  0.737  0.456  1.0
  O  O12  1  0.500  0.237  0.044  1.0
  O  O13  1  0.500  0.763  0.956  1.0
[/CIF]
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The compound described by Sr2PrO4 crystallizes in the orthorhombic Pbam space group. Sr(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Pr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing PrO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to three equivalent Sr(1) and two equivalent Pr(1) atoms to form distorted OSr3Pr2 trigonal bipyramids that share corners with four equivalent O(1)Sr4Pr square pyramids, corners with eight equivalent O(2)Sr3Pr2 trigonal bipyramids, edges with six equivalent O(1)Sr4Pr square pyramids, and edges with two equivalent O(2)Sr3Pr2 trigonal bipyramids. In the second O site, O(1) is bonded to four equivalent Sr(1) and one Pr(1) atom to form distorted OSr4Pr square pyramids that share corners with five equivalent O(1)Sr4Pr square pyramids, corners with four equivalent O(2)Sr3Pr2 trigonal bipyramids, edges with four equivalent O(1)Sr4Pr square pyramids, and edges with six equivalent O(2)Sr3Pr2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2PrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.735
_cell_length_b   6.282
_cell_length_c   10.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.698
_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  0.064  0.323  1.0
  Sr  Sr1  1  0.500  0.936  0.677  1.0
  Sr  Sr2  1  0.500  0.436  0.823  1.0
  Sr  Sr3  1  0.500  0.564  0.177  1.0
  Pr  Pr4  1  0.000  0.000  0.000  1.0
  Pr  Pr5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.000  0.152  0.794  1.0
  O  O7  1  0.000  0.848  0.206  1.0
  O  O8  1  0.000  0.652  0.706  1.0
  O  O9  1  0.000  0.348  0.294  1.0
  O  O10  1  0.500  0.263  0.544  1.0
  O  O11  1  0.500  0.737  0.456  1.0
  O  O12  1  0.500  0.237  0.044  1.0
  O  O13  1  0.500  0.763  0.956  1.0
[/CIF]
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