The structure described by Nd4PO8Cl crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and one Cl(1) atom. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and one Cl(1) atom. P(1) is bonded in a tetrahedral geometry to one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Nd(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Nd(2) and one P(1) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Nd(2) atoms. is represented by the CIF file [CIF]
data_Nd4PClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   5.870
_cell_length_c   13.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.431
_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
  Nd  Nd0  1  0.561  0.983  0.662  1.0
  Nd  Nd1  1  0.561  0.983  0.338  1.0
  Nd  Nd2  1  0.061  0.017  0.838  1.0
  Nd  Nd3  1  0.061  0.017  0.162  1.0
  Nd  Nd4  1  0.532  0.487  0.832  1.0
  Nd  Nd5  1  0.532  0.487  0.168  1.0
  Nd  Nd6  1  0.032  0.513  0.668  1.0
  Nd  Nd7  1  0.032  0.513  0.332  1.0
  P  P8  1  0.504  0.457  0.500  1.0
  P  P9  1  0.004  0.543  0.000  1.0
  Cl  Cl10  1  0.494  0.053  0.000  1.0
  Cl  Cl11  1  0.994  0.947  0.500  1.0
  O  O12  1  0.793  0.243  0.750  1.0
  O  O13  1  0.793  0.243  0.250  1.0
  O  O14  1  0.293  0.757  0.750  1.0
  O  O15  1  0.293  0.757  0.250  1.0
  O  O16  1  0.799  0.757  0.768  1.0
  O  O17  1  0.799  0.757  0.232  1.0
  O  O18  1  0.299  0.243  0.732  1.0
  O  O19  1  0.299  0.243  0.268  1.0
  O  O20  1  0.544  0.194  0.500  1.0
  O  O21  1  0.044  0.806  0.000  1.0
  O  O22  1  0.615  0.567  0.404  1.0
  O  O23  1  0.615  0.567  0.596  1.0
  O  O24  1  0.115  0.433  0.096  1.0
  O  O25  1  0.115  0.433  0.904  1.0
  O  O26  1  0.240  0.498  0.500  1.0
  O  O27  1  0.740  0.502  0.000  1.0
[/CIF]
.
The structure described by Nd4PO8Cl crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and one Cl(1) atom. In the second Nd site, Nd(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and one Cl(1) atom. P(1) is bonded in a tetrahedral geometry to one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Nd(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Nd(2) and one P(1) atom. Cl(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Nd(2) atoms. is represented by the CIF file [CIF]
data_Nd4PClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   5.870
_cell_length_c   13.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.431
_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
  Nd  Nd0  1  0.561  0.983  0.662  1.0
  Nd  Nd1  1  0.561  0.983  0.338  1.0
  Nd  Nd2  1  0.061  0.017  0.838  1.0
  Nd  Nd3  1  0.061  0.017  0.162  1.0
  Nd  Nd4  1  0.532  0.487  0.832  1.0
  Nd  Nd5  1  0.532  0.487  0.168  1.0
  Nd  Nd6  1  0.032  0.513  0.668  1.0
  Nd  Nd7  1  0.032  0.513  0.332  1.0
  P  P8  1  0.504  0.457  0.500  1.0
  P  P9  1  0.004  0.543  0.000  1.0
  Cl  Cl10  1  0.494  0.053  0.000  1.0
  Cl  Cl11  1  0.994  0.947  0.500  1.0
  O  O12  1  0.793  0.243  0.750  1.0
  O  O13  1  0.793  0.243  0.250  1.0
  O  O14  1  0.293  0.757  0.750  1.0
  O  O15  1  0.293  0.757  0.250  1.0
  O  O16  1  0.799  0.757  0.768  1.0
  O  O17  1  0.799  0.757  0.232  1.0
  O  O18  1  0.299  0.243  0.732  1.0
  O  O19  1  0.299  0.243  0.268  1.0
  O  O20  1  0.544  0.194  0.500  1.0
  O  O21  1  0.044  0.806  0.000  1.0
  O  O22  1  0.615  0.567  0.404  1.0
  O  O23  1  0.615  0.567  0.596  1.0
  O  O24  1  0.115  0.433  0.096  1.0
  O  O25  1  0.115  0.433  0.904  1.0
  O  O26  1  0.240  0.498  0.500  1.0
  O  O27  1  0.740  0.502  0.000  1.0
[/CIF]
.