The material structure described by Pr4Re6O19 crystallizes in the trigonal R3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms. In the second Pr site, Pr(2) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), three equivalent O(4), and three equivalent O(6) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a tetrahedral geometry to one Pr(2) and three equivalent Pr(1) atoms. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Re(1), and one Re(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Re(2) atoms. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Re(1), and one Re(2) atom. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Re(1) atoms. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Re(1), and one Re(2) atom. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Re(1), and one Re(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr4Re6O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.815
_cell_length_b   7.808
_cell_length_c   7.815
_cell_angle_alpha   109.453
_cell_angle_beta   109.486
_cell_angle_gamma   109.456
_symmetry_Int_Tables_number   1
_cell_volume   367.168
_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
  Pr  Pr0  1  0.686  0.685  0.685  1.0
  Pr  Pr1  1  0.315  1.000  0.001  1.0
  Pr  Pr2  1  1.000  0.316  0.000  1.0
  Pr  Pr3  1  0.999  0.999  0.314  1.0
  Re  Re4  1  0.367  0.867  0.501  1.0
  Re  Re5  1  0.633  0.134  0.500  1.0
  Re  Re6  1  0.867  0.500  0.367  1.0
  Re  Re7  1  0.134  0.500  0.633  1.0
  Re  Re8  1  0.500  0.366  0.866  1.0
  Re  Re9  1  0.500  0.633  0.133  1.0
  O  O10  1  0.679  0.679  0.999  1.0
  O  O11  1  0.321  0.320  0.001  1.0
  O  O12  1  0.680  1.000  0.679  1.0
  O  O13  1  0.320  1.000  0.321  1.0
  O  O14  1  0.001  0.680  0.680  1.0
  O  O15  1  0.999  0.320  0.320  1.0
  O  O16  1  0.000  0.999  0.000  1.0
  O  O17  1  0.364  0.623  0.306  1.0
  O  O18  1  0.636  0.944  0.258  1.0
  O  O19  1  0.685  0.377  0.742  1.0
  O  O20  1  0.622  0.308  0.364  1.0
  O  O21  1  0.316  0.056  0.694  1.0
  O  O22  1  0.943  0.259  0.636  1.0
  O  O23  1  0.378  0.740  0.684  1.0
  O  O24  1  0.057  0.693  0.315  1.0
  O  O25  1  0.306  0.362  0.622  1.0
  O  O26  1  0.742  0.686  0.378  1.0
  O  O27  1  0.694  0.317  0.057  1.0
  O  O28  1  0.258  0.636  0.943  1.0
[/CIF]
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The material structure described by Pr4Re6O19 crystallizes in the trigonal R3 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms. In the second Pr site, Pr(2) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), three equivalent O(4), and three equivalent O(6) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a tetrahedral geometry to one Pr(2) and three equivalent Pr(1) atoms. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Re(1), and one Re(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Re(2) atoms. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Re(1), and one Re(2) atom. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Re(1) atoms. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Re(1), and one Re(2) atom. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Re(1), and one Re(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr4Re6O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.815
_cell_length_b   7.808
_cell_length_c   7.815
_cell_angle_alpha   109.453
_cell_angle_beta   109.486
_cell_angle_gamma   109.456
_symmetry_Int_Tables_number   1
_cell_volume   367.168
_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
  Pr  Pr0  1  0.686  0.685  0.685  1.0
  Pr  Pr1  1  0.315  1.000  0.001  1.0
  Pr  Pr2  1  1.000  0.316  0.000  1.0
  Pr  Pr3  1  0.999  0.999  0.314  1.0
  Re  Re4  1  0.367  0.867  0.501  1.0
  Re  Re5  1  0.633  0.134  0.500  1.0
  Re  Re6  1  0.867  0.500  0.367  1.0
  Re  Re7  1  0.134  0.500  0.633  1.0
  Re  Re8  1  0.500  0.366  0.866  1.0
  Re  Re9  1  0.500  0.633  0.133  1.0
  O  O10  1  0.679  0.679  0.999  1.0
  O  O11  1  0.321  0.320  0.001  1.0
  O  O12  1  0.680  1.000  0.679  1.0
  O  O13  1  0.320  1.000  0.321  1.0
  O  O14  1  0.001  0.680  0.680  1.0
  O  O15  1  0.999  0.320  0.320  1.0
  O  O16  1  0.000  0.999  0.000  1.0
  O  O17  1  0.364  0.623  0.306  1.0
  O  O18  1  0.636  0.944  0.258  1.0
  O  O19  1  0.685  0.377  0.742  1.0
  O  O20  1  0.622  0.308  0.364  1.0
  O  O21  1  0.316  0.056  0.694  1.0
  O  O22  1  0.943  0.259  0.636  1.0
  O  O23  1  0.378  0.740  0.684  1.0
  O  O24  1  0.057  0.693  0.315  1.0
  O  O25  1  0.306  0.362  0.622  1.0
  O  O26  1  0.742  0.686  0.378  1.0
  O  O27  1  0.694  0.317  0.057  1.0
  O  O28  1  0.258  0.636  0.943  1.0
[/CIF]
.