The material structure described by Sn(PO3)3 crystallizes in the hexagonal P-6c2 space group. Sn(1) is bonded to six equivalent O(2) atoms to form SnO6 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 Sn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Sn(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.725
_cell_length_b   6.725
_cell_length_c   10.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   403.227
_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  0.667  0.333  0.000  1.0
  Sn  Sn1  1  0.667  0.333  0.500  1.0
  P  P2  1  0.568  0.941  0.250  1.0
  P  P3  1  0.059  0.432  0.750  1.0
  P  P4  1  0.568  0.627  0.750  1.0
  P  P5  1  0.373  0.432  0.250  1.0
  P  P6  1  0.373  0.941  0.750  1.0
  P  P7  1  0.059  0.627  0.250  1.0
  O  O8  1  0.299  0.864  0.250  1.0
  O  O9  1  0.934  0.610  0.375  1.0
  O  O10  1  0.934  0.324  0.875  1.0
  O  O11  1  0.676  0.066  0.125  1.0
  O  O12  1  0.390  0.324  0.125  1.0
  O  O13  1  0.565  0.701  0.250  1.0
  O  O14  1  0.934  0.610  0.125  1.0
  O  O15  1  0.676  0.610  0.625  1.0
  O  O16  1  0.390  0.324  0.375  1.0
  O  O17  1  0.934  0.324  0.625  1.0
  O  O18  1  0.390  0.066  0.875  1.0
  O  O19  1  0.136  0.701  0.750  1.0
  O  O20  1  0.390  0.066  0.625  1.0
  O  O21  1  0.676  0.066  0.375  1.0
  O  O22  1  0.299  0.435  0.750  1.0
  O  O23  1  0.136  0.435  0.250  1.0
  O  O24  1  0.565  0.864  0.750  1.0
  O  O25  1  0.676  0.610  0.875  1.0
[/CIF]
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The material structure described by Sn(PO3)3 crystallizes in the hexagonal P-6c2 space group. Sn(1) is bonded to six equivalent O(2) atoms to form SnO6 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 Sn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Sn(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.725
_cell_length_b   6.725
_cell_length_c   10.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   403.227
_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  0.667  0.333  0.000  1.0
  Sn  Sn1  1  0.667  0.333  0.500  1.0
  P  P2  1  0.568  0.941  0.250  1.0
  P  P3  1  0.059  0.432  0.750  1.0
  P  P4  1  0.568  0.627  0.750  1.0
  P  P5  1  0.373  0.432  0.250  1.0
  P  P6  1  0.373  0.941  0.750  1.0
  P  P7  1  0.059  0.627  0.250  1.0
  O  O8  1  0.299  0.864  0.250  1.0
  O  O9  1  0.934  0.610  0.375  1.0
  O  O10  1  0.934  0.324  0.875  1.0
  O  O11  1  0.676  0.066  0.125  1.0
  O  O12  1  0.390  0.324  0.125  1.0
  O  O13  1  0.565  0.701  0.250  1.0
  O  O14  1  0.934  0.610  0.125  1.0
  O  O15  1  0.676  0.610  0.625  1.0
  O  O16  1  0.390  0.324  0.375  1.0
  O  O17  1  0.934  0.324  0.625  1.0
  O  O18  1  0.390  0.066  0.875  1.0
  O  O19  1  0.136  0.701  0.750  1.0
  O  O20  1  0.390  0.066  0.625  1.0
  O  O21  1  0.676  0.066  0.375  1.0
  O  O22  1  0.299  0.435  0.750  1.0
  O  O23  1  0.136  0.435  0.250  1.0
  O  O24  1  0.565  0.864  0.750  1.0
  O  O25  1  0.676  0.610  0.875  1.0
[/CIF]
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