The crystal structure described by NaPrCPO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Pr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Pr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one Pr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.209
_cell_length_b   5.364
_cell_length_c   9.796
_cell_angle_alpha   89.238
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.738
_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
  Na  Na0  1  0.533  0.770  0.771  1.0
  Na  Na1  1  0.033  0.230  0.229  1.0
  Pr  Pr2  1  0.222  0.220  0.628  1.0
  Pr  Pr3  1  0.722  0.780  0.372  1.0
  P  P4  1  0.730  0.283  0.584  1.0
  P  P5  1  0.230  0.717  0.416  1.0
  C  C6  1  0.276  0.277  0.931  1.0
  C  C7  1  0.776  0.723  0.069  1.0
  O  O8  1  0.743  0.691  0.944  1.0
  O  O9  1  0.285  0.054  0.882  1.0
  O  O10  1  0.297  0.461  0.846  1.0
  O  O11  1  0.907  0.212  0.663  1.0
  O  O12  1  0.556  0.157  0.646  1.0
  O  O13  1  0.251  0.795  0.570  1.0
  O  O14  1  0.702  0.572  0.580  1.0
  O  O15  1  0.202  0.428  0.420  1.0
  O  O16  1  0.751  0.205  0.430  1.0
  O  O17  1  0.056  0.843  0.354  1.0
  O  O18  1  0.407  0.788  0.337  1.0
  O  O19  1  0.797  0.539  0.154  1.0
  O  O20  1  0.785  0.946  0.118  1.0
  O  O21  1  0.243  0.309  0.056  1.0
[/CIF]
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The crystal structure described by NaPrCPO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Pr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Pr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Pr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one Pr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.209
_cell_length_b   5.364
_cell_length_c   9.796
_cell_angle_alpha   89.238
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.738
_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
  Na  Na0  1  0.533  0.770  0.771  1.0
  Na  Na1  1  0.033  0.230  0.229  1.0
  Pr  Pr2  1  0.222  0.220  0.628  1.0
  Pr  Pr3  1  0.722  0.780  0.372  1.0
  P  P4  1  0.730  0.283  0.584  1.0
  P  P5  1  0.230  0.717  0.416  1.0
  C  C6  1  0.276  0.277  0.931  1.0
  C  C7  1  0.776  0.723  0.069  1.0
  O  O8  1  0.743  0.691  0.944  1.0
  O  O9  1  0.285  0.054  0.882  1.0
  O  O10  1  0.297  0.461  0.846  1.0
  O  O11  1  0.907  0.212  0.663  1.0
  O  O12  1  0.556  0.157  0.646  1.0
  O  O13  1  0.251  0.795  0.570  1.0
  O  O14  1  0.702  0.572  0.580  1.0
  O  O15  1  0.202  0.428  0.420  1.0
  O  O16  1  0.751  0.205  0.430  1.0
  O  O17  1  0.056  0.843  0.354  1.0
  O  O18  1  0.407  0.788  0.337  1.0
  O  O19  1  0.797  0.539  0.154  1.0
  O  O20  1  0.785  0.946  0.118  1.0
  O  O21  1  0.243  0.309  0.056  1.0
[/CIF]
.