The material structure described by NaPNH3O3 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent P(1)NO3 tetrahedra and faces with two equivalent Na(1)O6 octahedra. P(1) is bonded to one N(1) and three equivalent O(1) atoms to form PNO3 tetrahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-54°. N(1) is bonded in a distorted tetrahedral geometry to one P(1) and three equivalent H(1) atoms. H(1) is bonded in a single-bond geometry to one N(1) atom. O(1) is bonded in a 1-coordinate geometry to two equivalent Na(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NaPH3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   5.806
_cell_length_c   6.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.294
_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  0.000  0.000  0.499  1.0
  Na  Na1  1  0.000  0.000  0.999  1.0
  P  P2  1  0.667  0.333  0.808  1.0
  P  P3  1  0.333  0.667  0.308  1.0
  H  H4  1  0.845  0.492  0.162  1.0
  H  H5  1  0.647  0.155  0.162  1.0
  H  H6  1  0.508  0.353  0.162  1.0
  H  H7  1  0.155  0.508  0.662  1.0
  H  H8  1  0.353  0.845  0.662  1.0
  H  H9  1  0.492  0.647  0.662  1.0
  N  N10  1  0.667  0.333  0.102  1.0
  N  N11  1  0.333  0.667  0.602  1.0
  O  O12  1  0.375  0.148  0.750  1.0
  O  O13  1  0.773  0.625  0.750  1.0
  O  O14  1  0.852  0.227  0.750  1.0
  O  O15  1  0.625  0.852  0.250  1.0
  O  O16  1  0.227  0.375  0.250  1.0
  O  O17  1  0.148  0.773  0.250  1.0
[/CIF]
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The material structure described by NaPNH3O3 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent P(1)NO3 tetrahedra and faces with two equivalent Na(1)O6 octahedra. P(1) is bonded to one N(1) and three equivalent O(1) atoms to form PNO3 tetrahedra that share corners with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-54°. N(1) is bonded in a distorted tetrahedral geometry to one P(1) and three equivalent H(1) atoms. H(1) is bonded in a single-bond geometry to one N(1) atom. O(1) is bonded in a 1-coordinate geometry to two equivalent Na(1) and one P(1) atom. is represented by the CIF card [CIF]
data_NaPH3NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   5.806
_cell_length_c   6.141
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.294
_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  0.000  0.000  0.499  1.0
  Na  Na1  1  0.000  0.000  0.999  1.0
  P  P2  1  0.667  0.333  0.808  1.0
  P  P3  1  0.333  0.667  0.308  1.0
  H  H4  1  0.845  0.492  0.162  1.0
  H  H5  1  0.647  0.155  0.162  1.0
  H  H6  1  0.508  0.353  0.162  1.0
  H  H7  1  0.155  0.508  0.662  1.0
  H  H8  1  0.353  0.845  0.662  1.0
  H  H9  1  0.492  0.647  0.662  1.0
  N  N10  1  0.667  0.333  0.102  1.0
  N  N11  1  0.333  0.667  0.602  1.0
  O  O12  1  0.375  0.148  0.750  1.0
  O  O13  1  0.773  0.625  0.750  1.0
  O  O14  1  0.852  0.227  0.750  1.0
  O  O15  1  0.625  0.852  0.250  1.0
  O  O16  1  0.227  0.375  0.250  1.0
  O  O17  1  0.148  0.773  0.250  1.0
[/CIF]
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