The structure described by (Ni(PO3)3)2N2 crystallizes in the trigonal R32 space group. The structure consists of three ammonia atoms inside a Ni(PO3)3 framework. In the Ni(PO3)3 framework, Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. is represented by the CIF file [CIF]
data_NiP3NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.362
_cell_length_b   6.362
_cell_length_c   6.362
_cell_angle_alpha   105.934
_cell_angle_beta   105.934
_cell_angle_gamma   105.934
_symmetry_Int_Tables_number   1
_cell_volume   220.438
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  P  P1  1  0.071  0.929  0.500  1.0
  P  P2  1  0.500  0.071  0.929  1.0
  P  P3  1  0.929  0.500  0.071  1.0
  N  N4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.068  0.345  0.054  1.0
  O  O6  1  0.054  0.068  0.345  1.0
  O  O7  1  0.345  0.054  0.068  1.0
  O  O8  1  0.655  0.932  0.946  1.0
  O  O9  1  0.932  0.946  0.655  1.0
  O  O10  1  0.946  0.655  0.932  1.0
  O  O11  1  0.653  0.347  0.000  1.0
  O  O12  1  0.000  0.653  0.347  1.0
  O  O13  1  0.347  0.000  0.653  1.0
[/CIF]
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The structure described by (Ni(PO3)3)2N2 crystallizes in the trigonal R32 space group. The structure consists of three ammonia atoms inside a Ni(PO3)3 framework. In the Ni(PO3)3 framework, Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. is represented by the CIF file [CIF]
data_NiP3NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.362
_cell_length_b   6.362
_cell_length_c   6.362
_cell_angle_alpha   105.934
_cell_angle_beta   105.934
_cell_angle_gamma   105.934
_symmetry_Int_Tables_number   1
_cell_volume   220.438
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  P  P1  1  0.071  0.929  0.500  1.0
  P  P2  1  0.500  0.071  0.929  1.0
  P  P3  1  0.929  0.500  0.071  1.0
  N  N4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.068  0.345  0.054  1.0
  O  O6  1  0.054  0.068  0.345  1.0
  O  O7  1  0.345  0.054  0.068  1.0
  O  O8  1  0.655  0.932  0.946  1.0
  O  O9  1  0.932  0.946  0.655  1.0
  O  O10  1  0.946  0.655  0.932  1.0
  O  O11  1  0.653  0.347  0.000  1.0
  O  O12  1  0.000  0.653  0.347  1.0
  O  O13  1  0.347  0.000  0.653  1.0
[/CIF]
.