The material described by (Sn4(PO4)3)2N2 crystallizes in the hexagonal P6_3 space group. The structure consists of two ammonia atoms inside a Sn4(PO4)3 framework. In the Sn4(PO4)3 framework, there are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Sn4P3NO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.906
_cell_length_b   9.906
_cell_length_c   8.227
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   699.045
_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
  Sn  Sn0  1  0.698  0.598  0.628  1.0
  Sn  Sn1  1  0.402  0.101  0.628  1.0
  Sn  Sn2  1  0.899  0.302  0.628  1.0
  Sn  Sn3  1  0.302  0.402  0.128  1.0
  Sn  Sn4  1  0.598  0.899  0.128  1.0
  Sn  Sn5  1  0.101  0.698  0.128  1.0
  Sn  Sn6  1  0.333  0.667  0.754  1.0
  Sn  Sn7  1  0.667  0.333  0.254  1.0
  P  P8  1  0.659  0.922  0.539  1.0
  P  P9  1  0.078  0.737  0.539  1.0
  P  P10  1  0.263  0.341  0.539  1.0
  P  P11  1  0.341  0.078  0.039  1.0
  P  P12  1  0.922  0.263  0.039  1.0
  P  P13  1  0.737  0.659  0.039  1.0
  N  N14  1  0.000  0.000  0.329  1.0
  N  N15  1  0.000  0.000  0.829  1.0
  O  O16  1  0.699  0.792  0.529  1.0
  O  O17  1  0.208  0.907  0.529  1.0
  O  O18  1  0.093  0.301  0.529  1.0
  O  O19  1  0.301  0.208  0.029  1.0
  O  O20  1  0.792  0.093  0.029  1.0
  O  O21  1  0.907  0.699  0.029  1.0
  O  O22  1  0.672  0.662  0.868  1.0
  O  O23  1  0.338  0.010  0.868  1.0
  O  O24  1  0.990  0.328  0.868  1.0
  O  O25  1  0.328  0.338  0.368  1.0
  O  O26  1  0.662  0.990  0.368  1.0
  O  O27  1  0.010  0.672  0.368  1.0
  O  O28  1  0.945  0.720  0.649  1.0
  O  O29  1  0.280  0.225  0.649  1.0
  O  O30  1  0.775  0.055  0.649  1.0
  O  O31  1  0.055  0.280  0.149  1.0
  O  O32  1  0.720  0.775  0.149  1.0
  O  O33  1  0.225  0.945  0.149  1.0
  O  O34  1  0.490  0.859  0.610  1.0
  O  O35  1  0.141  0.631  0.610  1.0
  O  O36  1  0.369  0.510  0.610  1.0
  O  O37  1  0.510  0.141  0.110  1.0
  O  O38  1  0.859  0.369  0.110  1.0
  O  O39  1  0.631  0.490  0.110  1.0
[/CIF]
.
The material described by (Sn4(PO4)3)2N2 crystallizes in the hexagonal P6_3 space group. The structure consists of two ammonia atoms inside a Sn4(PO4)3 framework. In the Sn4(PO4)3 framework, there are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. In the second Sn site, Sn(2) is bonded in a distorted T-shaped geometry to three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Sn4P3NO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.906
_cell_length_b   9.906
_cell_length_c   8.227
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   699.045
_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
  Sn  Sn0  1  0.698  0.598  0.628  1.0
  Sn  Sn1  1  0.402  0.101  0.628  1.0
  Sn  Sn2  1  0.899  0.302  0.628  1.0
  Sn  Sn3  1  0.302  0.402  0.128  1.0
  Sn  Sn4  1  0.598  0.899  0.128  1.0
  Sn  Sn5  1  0.101  0.698  0.128  1.0
  Sn  Sn6  1  0.333  0.667  0.754  1.0
  Sn  Sn7  1  0.667  0.333  0.254  1.0
  P  P8  1  0.659  0.922  0.539  1.0
  P  P9  1  0.078  0.737  0.539  1.0
  P  P10  1  0.263  0.341  0.539  1.0
  P  P11  1  0.341  0.078  0.039  1.0
  P  P12  1  0.922  0.263  0.039  1.0
  P  P13  1  0.737  0.659  0.039  1.0
  N  N14  1  0.000  0.000  0.329  1.0
  N  N15  1  0.000  0.000  0.829  1.0
  O  O16  1  0.699  0.792  0.529  1.0
  O  O17  1  0.208  0.907  0.529  1.0
  O  O18  1  0.093  0.301  0.529  1.0
  O  O19  1  0.301  0.208  0.029  1.0
  O  O20  1  0.792  0.093  0.029  1.0
  O  O21  1  0.907  0.699  0.029  1.0
  O  O22  1  0.672  0.662  0.868  1.0
  O  O23  1  0.338  0.010  0.868  1.0
  O  O24  1  0.990  0.328  0.868  1.0
  O  O25  1  0.328  0.338  0.368  1.0
  O  O26  1  0.662  0.990  0.368  1.0
  O  O27  1  0.010  0.672  0.368  1.0
  O  O28  1  0.945  0.720  0.649  1.0
  O  O29  1  0.280  0.225  0.649  1.0
  O  O30  1  0.775  0.055  0.649  1.0
  O  O31  1  0.055  0.280  0.149  1.0
  O  O32  1  0.720  0.775  0.149  1.0
  O  O33  1  0.225  0.945  0.149  1.0
  O  O34  1  0.490  0.859  0.610  1.0
  O  O35  1  0.141  0.631  0.610  1.0
  O  O36  1  0.369  0.510  0.610  1.0
  O  O37  1  0.510  0.141  0.110  1.0
  O  O38  1  0.859  0.369  0.110  1.0
  O  O39  1  0.631  0.490  0.110  1.0
[/CIF]
.