The compound described by K3Nd(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to one O(3), one O(6), two equivalent O(2), three equivalent O(4), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and three equivalent O(6) atoms. In the third K site, K(3) is bonded in a 10-coordinate geometry to one O(6), two equivalent O(1), three equivalent O(5), and four equivalent O(2) atoms. Nd(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(2) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(4), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Nd(1), and one P(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent K(3), one Nd(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(1), one Nd(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(3), one Nd(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(3), three equivalent K(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K3Nd(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.744
_cell_length_b   7.579
_cell_length_c   9.643
_cell_angle_alpha   88.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.737
_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
  K  K0  1  0.750  0.641  0.091  1.0
  K  K1  1  0.250  0.505  0.309  1.0
  K  K2  1  0.750  0.204  0.416  1.0
  K  K3  1  0.250  0.359  0.909  1.0
  K  K4  1  0.250  0.796  0.584  1.0
  K  K5  1  0.750  0.495  0.691  1.0
  Nd  Nd6  1  0.750  0.995  0.790  1.0
  Nd  Nd7  1  0.250  0.005  0.210  1.0
  P  P8  1  0.750  0.767  0.413  1.0
  P  P9  1  0.250  0.233  0.587  1.0
  P  P10  1  0.750  0.192  0.073  1.0
  P  P11  1  0.250  0.808  0.927  1.0
  O  O12  1  0.972  0.246  0.156  1.0
  O  O13  1  0.472  0.754  0.844  1.0
  O  O14  1  0.028  0.754  0.844  1.0
  O  O15  1  0.528  0.246  0.156  1.0
  O  O16  1  0.971  0.845  0.340  1.0
  O  O17  1  0.471  0.155  0.660  1.0
  O  O18  1  0.029  0.155  0.660  1.0
  O  O19  1  0.529  0.845  0.340  1.0
  O  O20  1  0.750  0.990  0.048  1.0
  O  O21  1  0.250  0.010  0.952  1.0
  O  O22  1  0.750  0.284  0.926  1.0
  O  O23  1  0.250  0.716  0.074  1.0
  O  O24  1  0.250  0.178  0.431  1.0
  O  O25  1  0.750  0.822  0.569  1.0
  O  O26  1  0.250  0.435  0.601  1.0
  O  O27  1  0.750  0.565  0.399  1.0
[/CIF]
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The compound described by K3Nd(PO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to one O(3), one O(6), two equivalent O(2), three equivalent O(4), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and three equivalent O(6) atoms. In the third K site, K(3) is bonded in a 10-coordinate geometry to one O(6), two equivalent O(1), three equivalent O(5), and four equivalent O(2) atoms. Nd(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(2) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(4), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), one Nd(1), and one P(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent K(3), one Nd(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(1), one Nd(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(3), one Nd(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(3), three equivalent K(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K3Nd(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.744
_cell_length_b   7.579
_cell_length_c   9.643
_cell_angle_alpha   88.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.737
_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
  K  K0  1  0.750  0.641  0.091  1.0
  K  K1  1  0.250  0.505  0.309  1.0
  K  K2  1  0.750  0.204  0.416  1.0
  K  K3  1  0.250  0.359  0.909  1.0
  K  K4  1  0.250  0.796  0.584  1.0
  K  K5  1  0.750  0.495  0.691  1.0
  Nd  Nd6  1  0.750  0.995  0.790  1.0
  Nd  Nd7  1  0.250  0.005  0.210  1.0
  P  P8  1  0.750  0.767  0.413  1.0
  P  P9  1  0.250  0.233  0.587  1.0
  P  P10  1  0.750  0.192  0.073  1.0
  P  P11  1  0.250  0.808  0.927  1.0
  O  O12  1  0.972  0.246  0.156  1.0
  O  O13  1  0.472  0.754  0.844  1.0
  O  O14  1  0.028  0.754  0.844  1.0
  O  O15  1  0.528  0.246  0.156  1.0
  O  O16  1  0.971  0.845  0.340  1.0
  O  O17  1  0.471  0.155  0.660  1.0
  O  O18  1  0.029  0.155  0.660  1.0
  O  O19  1  0.529  0.845  0.340  1.0
  O  O20  1  0.750  0.990  0.048  1.0
  O  O21  1  0.250  0.010  0.952  1.0
  O  O22  1  0.750  0.284  0.926  1.0
  O  O23  1  0.250  0.716  0.074  1.0
  O  O24  1  0.250  0.178  0.431  1.0
  O  O25  1  0.750  0.822  0.569  1.0
  O  O26  1  0.250  0.435  0.601  1.0
  O  O27  1  0.750  0.565  0.399  1.0
[/CIF]
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