The material structure described by PON1 is quartz (alpha)-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one N(3), and one O(1) atom to form PN3O tetrahedra that share corners with two equivalent P(2)N2O2 tetrahedra and corners with two equivalent P(3)NO3 tetrahedra. In the second P site, P(2) is bonded to one N(1), one N(3), one O(2), and one O(3) atom to form PN2O2 tetrahedra that share corners with two equivalent P(1)N3O tetrahedra and corners with two equivalent P(3)NO3 tetrahedra. In the third P site, P(3) is bonded to one N(2), one O(1), one O(2), and one O(3) atom to form PNO3 tetrahedra that share corners with two equivalent P(2)N2O2 tetrahedra and corners with two equivalent P(1)N3O tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PNO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   7.186
_cell_length_c   8.844
_cell_angle_alpha   53.704
_cell_angle_beta   53.704
_cell_angle_gamma   38.046
_symmetry_Int_Tables_number   1
_cell_volume   219.427
_cell_formula_units_Z   6
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
  P  P0  1  0.001  0.990  0.251  1.0
  P  P1  1  0.080  0.607  0.150  1.0
  P  P2  1  0.607  0.080  0.650  1.0
  P  P3  1  0.397  0.926  0.351  1.0
  P  P4  1  0.926  0.397  0.851  1.0
  P  P5  1  0.990  0.001  0.751  1.0
  N  N6  1  0.153  0.691  0.222  1.0
  N  N7  1  0.924  0.277  0.064  1.0
  N  N8  1  0.718  0.091  0.435  1.0
  N  N9  1  0.691  0.153  0.722  1.0
  N  N10  1  0.277  0.924  0.564  1.0
  N  N11  1  0.091  0.718  0.935  1.0
  O  O12  1  0.292  0.861  0.288  1.0
  O  O13  1  0.340  0.229  0.195  1.0
  O  O14  1  0.229  0.340  0.695  1.0
  O  O15  1  0.765  0.656  0.296  1.0
  O  O16  1  0.656  0.765  0.796  1.0
  O  O17  1  0.861  0.292  0.788  1.0
[/CIF]
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The material structure described by PON1 is quartz (alpha)-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one N(3), and one O(1) atom to form PN3O tetrahedra that share corners with two equivalent P(2)N2O2 tetrahedra and corners with two equivalent P(3)NO3 tetrahedra. In the second P site, P(2) is bonded to one N(1), one N(3), one O(2), and one O(3) atom to form PN2O2 tetrahedra that share corners with two equivalent P(1)N3O tetrahedra and corners with two equivalent P(3)NO3 tetrahedra. In the third P site, P(3) is bonded to one N(2), one O(1), one O(2), and one O(3) atom to form PNO3 tetrahedra that share corners with two equivalent P(2)N2O2 tetrahedra and corners with two equivalent P(1)N3O tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PNO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.186
_cell_length_b   7.186
_cell_length_c   8.844
_cell_angle_alpha   53.704
_cell_angle_beta   53.704
_cell_angle_gamma   38.046
_symmetry_Int_Tables_number   1
_cell_volume   219.427
_cell_formula_units_Z   6
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
  P  P0  1  0.001  0.990  0.251  1.0
  P  P1  1  0.080  0.607  0.150  1.0
  P  P2  1  0.607  0.080  0.650  1.0
  P  P3  1  0.397  0.926  0.351  1.0
  P  P4  1  0.926  0.397  0.851  1.0
  P  P5  1  0.990  0.001  0.751  1.0
  N  N6  1  0.153  0.691  0.222  1.0
  N  N7  1  0.924  0.277  0.064  1.0
  N  N8  1  0.718  0.091  0.435  1.0
  N  N9  1  0.691  0.153  0.722  1.0
  N  N10  1  0.277  0.924  0.564  1.0
  N  N11  1  0.091  0.718  0.935  1.0
  O  O12  1  0.292  0.861  0.288  1.0
  O  O13  1  0.340  0.229  0.195  1.0
  O  O14  1  0.229  0.340  0.695  1.0
  O  O15  1  0.765  0.656  0.296  1.0
  O  O16  1  0.656  0.765  0.796  1.0
  O  O17  1  0.861  0.292  0.788  1.0
[/CIF]
.