The structure described by Pr3ReO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted PrO7 pentagonal bipyramids that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Pr(1)O7 pentagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Pr(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Re(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Pr(1)O7 pentagonal bipyramids, and edges with four equivalent Pr(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one Re(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3ReO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.707
_cell_length_b   6.707
_cell_length_c   7.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.408
_symmetry_Int_Tables_number   1
_cell_volume   321.977
_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
  Pr  Pr0  1  0.026  0.581  0.250  1.0
  Pr  Pr1  1  0.974  0.419  0.750  1.0
  Pr  Pr2  1  0.500  0.500  0.500  1.0
  Pr  Pr3  1  0.500  0.500  0.000  1.0
  Pr  Pr4  1  0.419  0.974  0.750  1.0
  Pr  Pr5  1  0.581  0.026  0.250  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.606  0.344  0.750  1.0
  O  O9  1  0.394  0.656  0.250  1.0
  O  O10  1  0.344  0.606  0.750  1.0
  O  O11  1  0.656  0.394  0.250  1.0
  O  O12  1  0.309  0.059  0.037  1.0
  O  O13  1  0.691  0.941  0.537  1.0
  O  O14  1  0.059  0.309  0.463  1.0
  O  O15  1  0.941  0.691  0.963  1.0
  O  O16  1  0.923  0.923  0.250  1.0
  O  O17  1  0.077  0.077  0.750  1.0
  O  O18  1  0.059  0.309  0.037  1.0
  O  O19  1  0.941  0.691  0.537  1.0
  O  O20  1  0.309  0.059  0.463  1.0
  O  O21  1  0.691  0.941  0.963  1.0
[/CIF]
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The structure described by Pr3ReO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted PrO7 pentagonal bipyramids that share corners with two equivalent Re(1)O6 octahedra, corners with three equivalent Pr(1)O7 pentagonal bipyramids, edges with two equivalent Re(1)O6 octahedra, and edges with two equivalent Pr(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Re(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with two equivalent Re(1)O6 octahedra, corners with four equivalent Pr(1)O7 pentagonal bipyramids, and edges with four equivalent Pr(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form a mixture of corner and edge-sharing OPr4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one Re(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Re(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3ReO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.707
_cell_length_b   6.707
_cell_length_c   7.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.408
_symmetry_Int_Tables_number   1
_cell_volume   321.977
_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
  Pr  Pr0  1  0.026  0.581  0.250  1.0
  Pr  Pr1  1  0.974  0.419  0.750  1.0
  Pr  Pr2  1  0.500  0.500  0.500  1.0
  Pr  Pr3  1  0.500  0.500  0.000  1.0
  Pr  Pr4  1  0.419  0.974  0.750  1.0
  Pr  Pr5  1  0.581  0.026  0.250  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  Re  Re7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.606  0.344  0.750  1.0
  O  O9  1  0.394  0.656  0.250  1.0
  O  O10  1  0.344  0.606  0.750  1.0
  O  O11  1  0.656  0.394  0.250  1.0
  O  O12  1  0.309  0.059  0.037  1.0
  O  O13  1  0.691  0.941  0.537  1.0
  O  O14  1  0.059  0.309  0.463  1.0
  O  O15  1  0.941  0.691  0.963  1.0
  O  O16  1  0.923  0.923  0.250  1.0
  O  O17  1  0.077  0.077  0.750  1.0
  O  O18  1  0.059  0.309  0.037  1.0
  O  O19  1  0.941  0.691  0.537  1.0
  O  O20  1  0.309  0.059  0.463  1.0
  O  O21  1  0.691  0.941  0.963  1.0
[/CIF]
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