The compound described by Sn5P6O25 crystallizes in the trigonal R-3 space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to one O(5) and three equivalent O(3) atoms to form SnO4 tetrahedra that share  a cornercorner with one Sn(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn5P6O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.099
_cell_length_b   10.099
_cell_length_c   10.099
_cell_angle_alpha   49.634
_cell_angle_beta   49.634
_cell_angle_gamma   49.634
_symmetry_Int_Tables_number   1
_cell_volume   549.870
_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
  Sn  Sn0  1  0.827  0.827  0.827  1.0
  Sn  Sn1  1  0.173  0.173  0.173  1.0
  Sn  Sn2  1  0.572  0.572  0.572  1.0
  Sn  Sn3  1  0.428  0.428  0.428  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.821  0.061  0.386  1.0
  P  P6  1  0.614  0.179  0.939  1.0
  P  P7  1  0.939  0.614  0.179  1.0
  P  P8  1  0.061  0.386  0.821  1.0
  P  P9  1  0.386  0.821  0.061  1.0
  P  P10  1  0.179  0.939  0.614  1.0
  O  O11  1  0.955  0.274  0.900  1.0
  O  O12  1  0.897  0.215  0.274  1.0
  O  O13  1  0.726  0.103  0.785  1.0
  O  O14  1  0.726  0.100  0.045  1.0
  O  O15  1  0.599  0.167  0.442  1.0
  O  O16  1  0.912  0.563  0.864  1.0
  O  O17  1  0.437  0.136  0.088  1.0
  O  O18  1  0.833  0.558  0.401  1.0
  O  O19  1  0.558  0.401  0.833  1.0
  O  O20  1  0.100  0.045  0.726  1.0
  O  O21  1  0.785  0.726  0.103  1.0
  O  O22  1  0.136  0.088  0.437  1.0
  O  O23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.864  0.912  0.563  1.0
  O  O25  1  0.215  0.274  0.897  1.0
  O  O26  1  0.900  0.955  0.274  1.0
  O  O27  1  0.442  0.599  0.167  1.0
  O  O28  1  0.167  0.442  0.599  1.0
  O  O29  1  0.563  0.864  0.912  1.0
  O  O30  1  0.088  0.437  0.136  1.0
  O  O31  1  0.401  0.833  0.558  1.0
  O  O32  1  0.274  0.900  0.955  1.0
  O  O33  1  0.274  0.897  0.215  1.0
  O  O34  1  0.103  0.785  0.726  1.0
  O  O35  1  0.045  0.726  0.100  1.0
[/CIF]
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The compound described by Sn5P6O25 crystallizes in the trigonal R-3 space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Sn site, Sn(2) is bonded to one O(5) and three equivalent O(3) atoms to form SnO4 tetrahedra that share  a cornercorner with one Sn(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Sn site, Sn(3) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(3)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  a cornercorner with one Sn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(3) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sn(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn5P6O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.099
_cell_length_b   10.099
_cell_length_c   10.099
_cell_angle_alpha   49.634
_cell_angle_beta   49.634
_cell_angle_gamma   49.634
_symmetry_Int_Tables_number   1
_cell_volume   549.870
_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
  Sn  Sn0  1  0.827  0.827  0.827  1.0
  Sn  Sn1  1  0.173  0.173  0.173  1.0
  Sn  Sn2  1  0.572  0.572  0.572  1.0
  Sn  Sn3  1  0.428  0.428  0.428  1.0
  Sn  Sn4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.821  0.061  0.386  1.0
  P  P6  1  0.614  0.179  0.939  1.0
  P  P7  1  0.939  0.614  0.179  1.0
  P  P8  1  0.061  0.386  0.821  1.0
  P  P9  1  0.386  0.821  0.061  1.0
  P  P10  1  0.179  0.939  0.614  1.0
  O  O11  1  0.955  0.274  0.900  1.0
  O  O12  1  0.897  0.215  0.274  1.0
  O  O13  1  0.726  0.103  0.785  1.0
  O  O14  1  0.726  0.100  0.045  1.0
  O  O15  1  0.599  0.167  0.442  1.0
  O  O16  1  0.912  0.563  0.864  1.0
  O  O17  1  0.437  0.136  0.088  1.0
  O  O18  1  0.833  0.558  0.401  1.0
  O  O19  1  0.558  0.401  0.833  1.0
  O  O20  1  0.100  0.045  0.726  1.0
  O  O21  1  0.785  0.726  0.103  1.0
  O  O22  1  0.136  0.088  0.437  1.0
  O  O23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.864  0.912  0.563  1.0
  O  O25  1  0.215  0.274  0.897  1.0
  O  O26  1  0.900  0.955  0.274  1.0
  O  O27  1  0.442  0.599  0.167  1.0
  O  O28  1  0.167  0.442  0.599  1.0
  O  O29  1  0.563  0.864  0.912  1.0
  O  O30  1  0.088  0.437  0.136  1.0
  O  O31  1  0.401  0.833  0.558  1.0
  O  O32  1  0.274  0.900  0.955  1.0
  O  O33  1  0.274  0.897  0.215  1.0
  O  O34  1  0.103  0.785  0.726  1.0
  O  O35  1  0.045  0.726  0.100  1.0
[/CIF]
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