The structure described by PrP3(HO2)6 crystallizes in the hexagonal P-6 space group. Pr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(3) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing PO4 tetrahedra. H(1) is bonded in a single-bond geometry to one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a water-like geometry to one Pr(1) and two equivalent H(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrP3(HO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.874
_cell_length_b   6.874
_cell_length_c   6.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.670
_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
  P  P1  1  0.729  0.118  0.500  1.0
  P  P2  1  0.882  0.611  0.500  1.0
  P  P3  1  0.389  0.271  0.500  1.0
  H  H4  1  0.511  0.568  0.126  1.0
  H  H5  1  0.432  0.943  0.126  1.0
  H  H6  1  0.057  0.489  0.874  1.0
  H  H7  1  0.057  0.489  0.126  1.0
  H  H8  1  0.432  0.943  0.874  1.0
  H  H9  1  0.511  0.568  0.874  1.0
  O  O10  1  0.485  0.099  0.500  1.0
  O  O11  1  0.596  0.657  0.000  1.0
  O  O12  1  0.061  0.404  0.000  1.0
  O  O13  1  0.978  0.729  0.288  1.0
  O  O14  1  0.901  0.386  0.500  1.0
  O  O15  1  0.978  0.729  0.712  1.0
  O  O16  1  0.271  0.249  0.288  1.0
  O  O17  1  0.614  0.515  0.500  1.0
  O  O18  1  0.751  0.022  0.288  1.0
  O  O19  1  0.751  0.022  0.712  1.0
  O  O20  1  0.343  0.939  0.000  1.0
  O  O21  1  0.271  0.249  0.712  1.0
[/CIF]
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The structure described by PrP3(HO2)6 crystallizes in the hexagonal P-6 space group. Pr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(3) atoms. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form corner-sharing PO4 tetrahedra. H(1) is bonded in a single-bond geometry to one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a water-like geometry to one Pr(1) and two equivalent H(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrP3(HO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.874
_cell_length_b   6.874
_cell_length_c   6.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.670
_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
  P  P1  1  0.729  0.118  0.500  1.0
  P  P2  1  0.882  0.611  0.500  1.0
  P  P3  1  0.389  0.271  0.500  1.0
  H  H4  1  0.511  0.568  0.126  1.0
  H  H5  1  0.432  0.943  0.126  1.0
  H  H6  1  0.057  0.489  0.874  1.0
  H  H7  1  0.057  0.489  0.126  1.0
  H  H8  1  0.432  0.943  0.874  1.0
  H  H9  1  0.511  0.568  0.874  1.0
  O  O10  1  0.485  0.099  0.500  1.0
  O  O11  1  0.596  0.657  0.000  1.0
  O  O12  1  0.061  0.404  0.000  1.0
  O  O13  1  0.978  0.729  0.288  1.0
  O  O14  1  0.901  0.386  0.500  1.0
  O  O15  1  0.978  0.729  0.712  1.0
  O  O16  1  0.271  0.249  0.288  1.0
  O  O17  1  0.614  0.515  0.500  1.0
  O  O18  1  0.751  0.022  0.288  1.0
  O  O19  1  0.751  0.022  0.712  1.0
  O  O20  1  0.343  0.939  0.000  1.0
  O  O21  1  0.271  0.249  0.712  1.0
[/CIF]
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