The compound described by Pr7O12 crystallizes in the triclinic P-1 space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the fourth Pr site, Pr(4) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Pr(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), and two equivalent Pr(4) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(4), and two equivalent Pr(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Pr(2), one Pr(3), and one Pr(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Pr(2), one Pr(3), and one Pr(4) atom. is represented by the CIF file [CIF]
data_Pr7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   8.681
_cell_length_c   8.681
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.603
_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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.861  0.608  0.307  1.0
  Pr  Pr2  1  0.699  0.139  0.531  1.0
  Pr  Pr3  1  0.392  0.301  0.162  1.0
  Pr  Pr4  1  0.139  0.392  0.693  1.0
  Pr  Pr5  1  0.301  0.861  0.469  1.0
  Pr  Pr6  1  0.608  0.699  0.838  1.0
  O  O7  1  0.934  0.674  0.735  1.0
  O  O8  1  0.060  0.066  0.392  1.0
  O  O9  1  0.326  0.940  0.873  1.0
  O  O10  1  0.066  0.326  0.265  1.0
  O  O11  1  0.940  0.934  0.608  1.0
  O  O12  1  0.674  0.060  0.127  1.0
  O  O13  1  0.581  0.821  0.259  1.0
  O  O14  1  0.438  0.419  0.598  1.0
  O  O15  1  0.179  0.562  0.143  1.0
  O  O16  1  0.419  0.179  0.741  1.0
  O  O17  1  0.562  0.581  0.402  1.0
  O  O18  1  0.821  0.438  0.857  1.0
[/CIF]
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The compound described by Pr7O12 crystallizes in the triclinic P-1 space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the fourth Pr site, Pr(4) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Pr(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), and two equivalent Pr(4) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(4), and two equivalent Pr(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Pr(2), one Pr(3), and one Pr(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Pr(2), one Pr(3), and one Pr(4) atom. is represented by the CIF file [CIF]
data_Pr7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   8.681
_cell_length_c   8.681
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.603
_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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.861  0.608  0.307  1.0
  Pr  Pr2  1  0.699  0.139  0.531  1.0
  Pr  Pr3  1  0.392  0.301  0.162  1.0
  Pr  Pr4  1  0.139  0.392  0.693  1.0
  Pr  Pr5  1  0.301  0.861  0.469  1.0
  Pr  Pr6  1  0.608  0.699  0.838  1.0
  O  O7  1  0.934  0.674  0.735  1.0
  O  O8  1  0.060  0.066  0.392  1.0
  O  O9  1  0.326  0.940  0.873  1.0
  O  O10  1  0.066  0.326  0.265  1.0
  O  O11  1  0.940  0.934  0.608  1.0
  O  O12  1  0.674  0.060  0.127  1.0
  O  O13  1  0.581  0.821  0.259  1.0
  O  O14  1  0.438  0.419  0.598  1.0
  O  O15  1  0.179  0.562  0.143  1.0
  O  O16  1  0.419  0.179  0.741  1.0
  O  O17  1  0.562  0.581  0.402  1.0
  O  O18  1  0.821  0.438  0.857  1.0
[/CIF]
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