The compound described by PrCO4 crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), and six equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Pr(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Pr(1) and one C(1) atom. is represented by the CIF card [CIF]
data_PrCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   7.440
_cell_length_c   8.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.682
_cell_formula_units_Z   4
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  0.250  0.359  0.329  1.0
  Pr  Pr1  1  0.250  0.859  0.171  1.0
  Pr  Pr2  1  0.750  0.641  0.671  1.0
  Pr  Pr3  1  0.750  0.141  0.829  1.0
  C  C4  1  0.250  0.305  0.687  1.0
  C  C5  1  0.250  0.805  0.813  1.0
  C  C6  1  0.750  0.695  0.313  1.0
  C  C7  1  0.750  0.195  0.187  1.0
  O  O8  1  0.250  0.045  0.415  1.0
  O  O9  1  0.250  0.545  0.085  1.0
  O  O10  1  0.750  0.955  0.585  1.0
  O  O11  1  0.750  0.455  0.915  1.0
  O  O12  1  0.750  0.298  0.312  1.0
  O  O13  1  0.750  0.798  0.188  1.0
  O  O14  1  0.250  0.702  0.688  1.0
  O  O15  1  0.250  0.202  0.812  1.0
  O  O16  1  0.973  0.647  0.380  1.0
  O  O17  1  0.527  0.147  0.120  1.0
  O  O18  1  0.473  0.353  0.620  1.0
  O  O19  1  0.027  0.853  0.880  1.0
  O  O20  1  0.027  0.353  0.620  1.0
  O  O21  1  0.473  0.853  0.880  1.0
  O  O22  1  0.527  0.647  0.380  1.0
  O  O23  1  0.973  0.147  0.120  1.0
[/CIF]
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The compound described by PrCO4 crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), and six equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Pr(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Pr(1) and one C(1) atom. is represented by the CIF card [CIF]
data_PrCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   7.440
_cell_length_c   8.179
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   304.682
_cell_formula_units_Z   4
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  0.250  0.359  0.329  1.0
  Pr  Pr1  1  0.250  0.859  0.171  1.0
  Pr  Pr2  1  0.750  0.641  0.671  1.0
  Pr  Pr3  1  0.750  0.141  0.829  1.0
  C  C4  1  0.250  0.305  0.687  1.0
  C  C5  1  0.250  0.805  0.813  1.0
  C  C6  1  0.750  0.695  0.313  1.0
  C  C7  1  0.750  0.195  0.187  1.0
  O  O8  1  0.250  0.045  0.415  1.0
  O  O9  1  0.250  0.545  0.085  1.0
  O  O10  1  0.750  0.955  0.585  1.0
  O  O11  1  0.750  0.455  0.915  1.0
  O  O12  1  0.750  0.298  0.312  1.0
  O  O13  1  0.750  0.798  0.188  1.0
  O  O14  1  0.250  0.702  0.688  1.0
  O  O15  1  0.250  0.202  0.812  1.0
  O  O16  1  0.973  0.647  0.380  1.0
  O  O17  1  0.527  0.147  0.120  1.0
  O  O18  1  0.473  0.353  0.620  1.0
  O  O19  1  0.027  0.853  0.880  1.0
  O  O20  1  0.027  0.353  0.620  1.0
  O  O21  1  0.473  0.853  0.880  1.0
  O  O22  1  0.527  0.647  0.380  1.0
  O  O23  1  0.973  0.147  0.120  1.0
[/CIF]
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