The material described by KPNH3O3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted KO6 octahedra that share corners with six equivalent P(1)NO3 tetrahedra and faces with two equivalent K(1)O6 octahedra. P(1) is bonded to one N(1), one O(1), one O(2), and one O(3) atom to form PNO3 tetrahedra that share corners with six equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. N(1) is bonded in a distorted tetrahedral geometry to one P(1), one H(1), one H(2), and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_KPH3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.924
_cell_length_b   6.164
_cell_length_c   11.982
_cell_angle_alpha   59.569
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.903
_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
  K  K0  1  0.012  0.043  0.209  1.0
  K  K1  1  0.488  0.043  0.709  1.0
  K  K2  1  0.988  0.957  0.791  1.0
  K  K3  1  0.512  0.957  0.291  1.0
  P  P4  1  0.660  0.338  0.911  1.0
  P  P5  1  0.840  0.338  0.411  1.0
  P  P6  1  0.340  0.662  0.089  1.0
  P  P7  1  0.160  0.662  0.589  1.0
  H  H8  1  0.336  0.490  0.824  1.0
  H  H9  1  0.164  0.490  0.324  1.0
  H  H10  1  0.664  0.510  0.176  1.0
  H  H11  1  0.836  0.510  0.676  1.0
  H  H12  1  0.348  0.362  0.987  1.0
  H  H13  1  0.152  0.362  0.487  1.0
  H  H14  1  0.652  0.638  0.013  1.0
  H  H15  1  0.848  0.638  0.513  1.0
  H  H16  1  0.350  0.170  0.922  1.0
  H  H17  1  0.150  0.170  0.422  1.0
  H  H18  1  0.650  0.830  0.078  1.0
  H  H19  1  0.850  0.830  0.578  1.0
  N  N20  1  0.397  0.343  0.909  1.0
  N  N21  1  0.103  0.343  0.409  1.0
  N  N22  1  0.603  0.657  0.091  1.0
  N  N23  1  0.897  0.657  0.591  1.0
  O  O24  1  0.715  0.271  0.810  1.0
  O  O25  1  0.785  0.271  0.310  1.0
  O  O26  1  0.285  0.729  0.190  1.0
  O  O27  1  0.215  0.729  0.690  1.0
  O  O28  1  0.712  0.606  0.877  1.0
  O  O29  1  0.788  0.606  0.377  1.0
  O  O30  1  0.288  0.394  0.123  1.0
  O  O31  1  0.212  0.394  0.623  1.0
  O  O32  1  0.703  0.134  0.050  1.0
  O  O33  1  0.797  0.134  0.550  1.0
  O  O34  1  0.297  0.866  0.950  1.0
  O  O35  1  0.203  0.866  0.450  1.0
[/CIF]
.
The material described by KPNH3O3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted KO6 octahedra that share corners with six equivalent P(1)NO3 tetrahedra and faces with two equivalent K(1)O6 octahedra. P(1) is bonded to one N(1), one O(1), one O(2), and one O(3) atom to form PNO3 tetrahedra that share corners with six equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. N(1) is bonded in a distorted tetrahedral geometry to one P(1), one H(1), one H(2), and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_KPH3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.924
_cell_length_b   6.164
_cell_length_c   11.982
_cell_angle_alpha   59.569
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.903
_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
  K  K0  1  0.012  0.043  0.209  1.0
  K  K1  1  0.488  0.043  0.709  1.0
  K  K2  1  0.988  0.957  0.791  1.0
  K  K3  1  0.512  0.957  0.291  1.0
  P  P4  1  0.660  0.338  0.911  1.0
  P  P5  1  0.840  0.338  0.411  1.0
  P  P6  1  0.340  0.662  0.089  1.0
  P  P7  1  0.160  0.662  0.589  1.0
  H  H8  1  0.336  0.490  0.824  1.0
  H  H9  1  0.164  0.490  0.324  1.0
  H  H10  1  0.664  0.510  0.176  1.0
  H  H11  1  0.836  0.510  0.676  1.0
  H  H12  1  0.348  0.362  0.987  1.0
  H  H13  1  0.152  0.362  0.487  1.0
  H  H14  1  0.652  0.638  0.013  1.0
  H  H15  1  0.848  0.638  0.513  1.0
  H  H16  1  0.350  0.170  0.922  1.0
  H  H17  1  0.150  0.170  0.422  1.0
  H  H18  1  0.650  0.830  0.078  1.0
  H  H19  1  0.850  0.830  0.578  1.0
  N  N20  1  0.397  0.343  0.909  1.0
  N  N21  1  0.103  0.343  0.409  1.0
  N  N22  1  0.603  0.657  0.091  1.0
  N  N23  1  0.897  0.657  0.591  1.0
  O  O24  1  0.715  0.271  0.810  1.0
  O  O25  1  0.785  0.271  0.310  1.0
  O  O26  1  0.285  0.729  0.190  1.0
  O  O27  1  0.215  0.729  0.690  1.0
  O  O28  1  0.712  0.606  0.877  1.0
  O  O29  1  0.788  0.606  0.377  1.0
  O  O30  1  0.288  0.394  0.123  1.0
  O  O31  1  0.212  0.394  0.623  1.0
  O  O32  1  0.703  0.134  0.050  1.0
  O  O33  1  0.797  0.134  0.550  1.0
  O  O34  1  0.297  0.866  0.950  1.0
  O  O35  1  0.203  0.866  0.450  1.0
[/CIF]
.